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 of 2794
Records 48081 to 48100 of 55865
 
PUBCHEM ID
UNII
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Total Surface Area
Relative PSA
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
66669778 D266D7TY9B mol2, pdbqt 274,88 0,19328 58,37 -3,985 361,444 3,0031 5 1 0 6,1367 0,749402292757736
66673180 58926176Y6 mol2, pdbqt 344,71 0,25862 106,8 -5,018 456,565 3,2645 8 0 0 5,8706 0,562065440633496
66687139 9O7HDO4IAI mol2, pdbqt 377,55 0,19468 87,3 -5,557 461,688 4,0659 6 3 0 -1,3786 0,227044140897537
66692593 HPJ19AX27F mol2, pdbqt 174,63 0,13228 29,46 -2,948 226,274 2,8915 2 1 0 0,31525 0,691172985664122
66695403 VE3U01X8KW mol2, pdbqt 129,65 0,2553 38,69 -1,264 160,212 0,8253 3 1 0 0,045997 0,73511164320821
66712477 1B5560RN9F mol2, pdbqt 255,27 0,13198 36,02 -1,173 329,442 1,5649 5 0 0 6,2245 0,917294645849523
66713581 UEJ23QX4RE mol2, pdbqt 265,31 0,18899 51,24 -3,59 394,469 1,4535 6 0 0 4,6438 0,630171136640521
66718706 FU766G6PHK mol2, pdbqt 299,22 0,31241 124,38 -3,249 418,469 0,9639 8 1 0 -1,2683 0,289982662417823
66721789 5G222ZDK7U mol2, pdbqt 377,12 0,087611 35,53 -7,222 430,67 9,0129 3 0 1 -22,985 7,10917898459405E-02
66722023 DV2P23JCWV mol2, pdbqt 192,71 0,20627 52,93 -2,547 285,342 1,2567 4 2 0 5,0881 0,912916629152541
66724260 RHH9N0SJ73 mol2, pdbqt 80,6 0,30968 28,68 -0,094 83,1136 -0,0474 2 1 0 2,1096 0,936296991989867
66743186 QSG72W6U9C mol2, pdbqt 253,51 0,27242 79,82 -1,862 310,392 0,6154 6 3 0 9,8238 0,742253432666023
66750328 9EA638S2KS mol2, pdbqt 229,91 0,17289 52,93 -3,603 339,434 2,5283 4 2 0 1,35 0,727302241058814
66753191 12JBD7U72K mol2, pdbqt 348,69 0,34931 125,94 -4,651 436,531 -3,6732 9 4 0 1,3304 0,597175616985001
66757095 326T5Z15Q4 mol2, pdbqt 197,48 0,14204 32,34 -2,161 246,353 2,6131 3 1 0 0,017735 0,684715317737673
66765880 MR0954S38Y mol2, pdbqt 120,26 0,21786 40,46 -1,456 144,213 0,7372 2 2 0 -7,4708 0,486455089459565
66799442 03NIQ3Y7W2 mol2, pdbqt 260,03 0,22932 65,07 -3,553 369,416 2,0737 6 0 0 4,8851 0,802619512538302
66803678 KFJ58CO02X mol2, pdbqt 473,33 0,063381 41,28 -11,584 590,826 13,597 3 0 2 -15,648 4,70097838510958E-02
66803995 1P8M9I02ER mol2, pdbqt 534,28 0,05615 41,28 -13,014 660,96 15,634 3 0 2 -15,648 4,22618352986059E-02
66819785 23KN826MQ4 mol2, pdbqt 375,14 0,24271 105,93 -7,731 518,931 4,7971 8 2 1 -0,6421 0,199618629118215
These data are only available for scientific research purposes.