Molecular Properties | |
SMILES: | N#Cc1cc(CN2CC3CC2CN3C(=O)CCl)c2ccc(S(N)(=O)=O)cc2c1 |
MW: | 418.09 |
Fraction sp3: | 0.37 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 107.5 |
cLogP: | 1.38 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
DAR-DIA-3e9bbd81-10
0.707
DAR-DIA-3e9bbd81-2
0.643
DAR-DIA-3e9bbd81-8
0.618
MAK-UNK-bae89c02-3
0.522
MAK-UNK-ec98eaf6-21
0.500
MAK-UNK-ec98eaf6-22
0.495
DAR-DIA-3e9bbd81-4
0.489
MAK-UNK-10799360-22
0.489
MAK-UNK-bae89c02-4
0.472
SAD-SAT-581007d4-10
0.461
DAR-DIA-3e9bbd81-1
0.457
MAK-UNK-df1a028e-1
0.448
MAK-UNK-5d2caa6f-6
0.447
MAK-UNK-ec98eaf6-24
0.442
MAK-UNK-3f402c2b-14
0.433
MAK-UNK-ec98eaf6-16
0.432
MAK-UNK-10799360-29
0.431
MAK-UNK-10799360-4
0.426
DAR-DIA-fb20be43-12
0.426
MAK-UNK-ec98eaf6-25
0.421
MAK-UNK-10799360-6
0.420
MAK-UNK-10799360-17
0.418
MAK-UNK-ec98eaf6-23
0.408
MAK-UNK-3f402c2b-22
0.407
MAK-UNK-3f402c2b-26
0.402
MAK-UNK-df1a028e-8
0.400
MAK-UNK-10799360-21
0.400
DAN-LON-a5fc619e-8
0.398
MAK-UNK-df1a028e-6
0.398
MAK-UNK-ec98eaf6-10
0.394
MAK-UNK-3f402c2b-3
0.393
MAK-UNK-10799360-10
0.393
MAK-UNK-ec98eaf6-17
0.392
SAD-SAT-581007d4-9
0.389
MAK-UNK-10799360-30
0.387
MAK-UNK-3f402c2b-16
0.386
MAK-UNK-3f402c2b-21
0.382
MAK-UNK-5d2caa6f-7
0.374
MAK-UNK-ec98eaf6-7
0.373
MAK-UNK-ec98eaf6-14
0.368
MAK-UNK-10799360-8
0.366
MAK-UNK-10799360-20
0.365
MAK-UNK-5d2caa6f-23
0.364
MAK-UNK-10799360-16
0.363
MAK-UNK-10799360-12
0.358
DAR-DIA-3e9bbd81-6
0.352
MAK-UNK-3e0761f8-10
0.345
MAK-UNK-ec98eaf6-11
0.343
MAK-UNK-3f402c2b-13
0.340
DAR-DIA-fb20be43-9
0.340
DAR-DIA-3e9bbd81-7
0.340
MAK-UNK-ec98eaf6-2
0.340
MAK-UNK-ec98eaf6-35
0.340
MAK-UNK-ec98eaf6-36
0.340
MAK-UNK-ec98eaf6-47
0.339
MAK-UNK-ec98eaf6-57
0.337
MAK-UNK-ec98eaf6-15
0.330
MAK-UNK-ec98eaf6-28
0.330
MAK-UNK-10799360-23
0.328
DAR-DIA-caba39e3-10
0.327
MAK-UNK-3f402c2b-5
0.326
MAK-UNK-90d0606b-1
0.324
MAK-UNK-3f402c2b-2
0.323
MAK-UNK-10799360-19
0.321
DAR-DIA-fb20be43-6
0.320
MAK-UNK-ec98eaf6-19
0.317
MAK-UNK-90d0606b-7
0.317
MAK-UNK-10799360-32
0.316
MAK-UNK-3f402c2b-15
0.315
PEI-IMP-e4a008a2-1
0.315
MAK-UNK-3f402c2b-17
0.306
MAK-UNK-3f402c2b-1
0.305
MAK-UNK-3f402c2b-6
0.305
MAK-UNK-ec98eaf6-20
0.304
MAK-UNK-3f402c2b-29
0.300
SAD-SAT-89668ff1-4
0.300
MAK-UNK-10799360-36
0.299
MAK-UNK-ec98eaf6-4
0.296
MAK-UNK-3f402c2b-12
0.296
MAK-UNK-3f402c2b-9
0.295
MAK-UNK-ec98eaf6-51
0.295
SID-UNK-90efdc9b-2
0.294
MAK-UNK-3f402c2b-25
0.293
DAR-DIA-3e9bbd81-13
0.293
MAK-UNK-3f402c2b-24
0.292
NIR-THE-0d6461ce-4
0.291
MAK-UNK-90d0606b-4
0.291
MAK-UNK-10799360-35
0.291
NIR-THE-c331be7a-5
0.291
MIH-UNI-e573136b-12
0.291
TAM-UNI-d1c3dd9f-3
0.291
MAK-UNK-3f402c2b-27
0.290
MAK-UNK-df1a028e-9
0.290
MAK-UNK-ec98eaf6-37
0.290
MAK-UNK-ec98eaf6-53
0.289
MAK-UNK-10799360-14
0.287
MAK-UNK-3f402c2b-11
0.286
MAK-UNK-ec98eaf6-13
0.286
MAK-UNK-10799360-11
0.286
MAK-UNK-10799360-5
0.283