Molecular Properties | |
SMILES: | O=C(CCl)N1CC2CC1CN2Cc1ncc(Cc2ccccc2)s1 |
MW: | 361.1 |
Fraction sp3: | 0.44 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 36.44 |
cLogP: | 2.76 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
MAK-UNK-ec98eaf6-11
0.679
MED-COV-4280ac29-8
0.550
MAK-UNK-ec98eaf6-7
0.523
MAK-UNK-10799360-32
0.510
MAK-UNK-3f402c2b-3
0.475
MAK-UNK-3f402c2b-22
0.474
MAK-UNK-3f402c2b-16
0.468
MAK-UNK-3f402c2b-26
0.468
DAN-LON-a5fc619e-8
0.463
MAK-UNK-3f402c2b-21
0.463
MAK-UNK-df1a028e-8
0.430
MAK-UNK-5d2caa6f-7
0.429
MAK-UNK-3f402c2b-14
0.414
MAK-UNK-df1a028e-6
0.410
MAK-UNK-bae89c02-4
0.404
MAK-UNK-90d0606b-1
0.402
SAD-SAT-581007d4-9
0.400
MAK-UNK-ec98eaf6-16
0.398
MAK-UNK-ec98eaf6-20
0.396
MAK-UNK-df1a028e-1
0.395
MAK-UNK-10799360-19
0.394
MAK-UNK-ec98eaf6-24
0.394
MED-COV-4280ac29-25
0.393
MAK-UNK-ec98eaf6-14
0.393
DAR-DIA-3e9bbd81-1
0.391
DAR-DIA-3e9bbd81-2
0.389
MAK-UNK-ec98eaf6-10
0.389
MAK-UNK-10799360-16
0.385
MAK-UNK-ec98eaf6-22
0.383
MAK-UNK-5d2caa6f-6
0.383
SAD-SAT-581007d4-10
0.378
MAK-UNK-df1a028e-4
0.375
MAK-UNK-ec98eaf6-23
0.375
MAK-UNK-ec98eaf6-21
0.375
MAK-UNK-10799360-6
0.374
MAK-UNK-df1a028e-9
0.373
MAK-UNK-10799360-17
0.371
MAK-UNK-e4a48a85-20
0.370
MAK-UNK-5d2caa6f-5
0.370
MAK-UNK-3f402c2b-7
0.366
MAK-UNK-10799360-22
0.365
MAK-UNK-ec98eaf6-19
0.365
MAK-UNK-bae89c02-3
0.365
MAK-UNK-10799360-10
0.362
MAK-UNK-10799360-20
0.360
MAK-UNK-10799360-29
0.359
MAK-UNK-ec98eaf6-47
0.359
MAK-UNK-ec98eaf6-17
0.358
MAK-UNK-ec98eaf6-57
0.357
MAK-UNK-5d2caa6f-24
0.357
MAK-UNK-10799360-21
0.354
DAR-DIA-3e9bbd81-4
0.354
PEI-IMP-e4a008a2-1
0.353
MAK-UNK-10799360-4
0.353
MAK-UNK-10799360-26
0.352
MAK-UNK-3e0761f8-10
0.351
MAK-UNK-3e0761f8-9
0.351
MAK-UNK-5d2caa6f-3
0.348
MAK-UNK-5d2caa6f-4
0.348
MAK-UNK-10799360-23
0.345
MAK-UNK-ec98eaf6-49
0.343
DAR-DIA-3e9bbd81-10
0.340
DAR-DIA-3e9bbd81-8
0.340
DAR-DIA-3e9bbd81-9
0.340
MAK-UNK-10799360-12
0.340
DAR-DIA-3e9bbd81-3
0.337
MAK-UNK-5d2caa6f-23
0.333
MAK-UNK-90d0606b-3
0.330
MAK-UNK-5d2caa6f-12
0.330
MAK-UNK-3f402c2b-25
0.329
MAK-UNK-ec98eaf6-25
0.327
MAK-UNK-3f402c2b-24
0.326
MAK-UNK-3f402c2b-6
0.326
MAK-UNK-3f402c2b-29
0.324
MAK-UNK-ec98eaf6-28
0.324
MAK-UNK-ec98eaf6-51
0.324
MAK-UNK-10799360-36
0.319
MAK-UNK-3f402c2b-4
0.318
MAK-UNK-3f402c2b-9
0.315
MAK-UNK-3f402c2b-18
0.315
MAK-UNK-ec98eaf6-48
0.313
MAK-UNK-10799360-8
0.312
MAK-UNK-10799360-1
0.312
MED-COV-4280ac29-1
0.312
MAK-UNK-3f402c2b-1
0.311
MAK-UNK-3e0761f8-8
0.311
MAK-UNK-3f402c2b-27
0.310
MAK-UNK-90d0606b-7
0.309
DAR-DIA-3e9bbd81-7
0.307
MAK-UNK-10799360-30
0.306
DAN-LON-a5fc619e-10
0.305
MAK-UNK-3f402c2b-11
0.304
MAK-UNK-ec98eaf6-13
0.304
SAD-SAT-c989feaa-4
0.304
MAK-UNK-ec98eaf6-58
0.304
MAK-UNK-ec98eaf6-5
0.304
AHN-SAT-721e3e40-1
0.299
MAK-UNK-5d2caa6f-20
0.297
DAR-DIA-3e9bbd81-6
0.296
MAK-UNK-ec98eaf6-6
0.296