Molecular Properties | |
SMILES: | N#Cc1cccc(C(c2ccccc2)N2CC3CC2CN3C(=O)CCl)c1 |
MW: | 365.13 |
Fraction sp3: | 0.33 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 47.34 |
cLogP: | 3.17 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MAK-UNK-df1a028e-9
0.701
DAR-DIA-3e9bbd81-3
0.693
MAK-UNK-ec98eaf6-51
0.598
DAR-DIA-3e9bbd81-6
0.591
MAK-UNK-10799360-36
0.579
MAK-UNK-ec98eaf6-6
0.568
MAK-UNK-ec98eaf6-9
0.568
DAR-DIA-3e9bbd81-13
0.548
MAK-UNK-ec98eaf6-53
0.533
DAR-DIA-3e9bbd81-11
0.519
MAK-UNK-ec98eaf6-1
0.512
DAR-DIA-3e9bbd81-5
0.511
MAK-UNK-ec98eaf6-52
0.510
MAK-UNK-5d2caa6f-3
0.500
MAK-UNK-90d0606b-3
0.488
MAK-UNK-ec98eaf6-15
0.485
MAK-UNK-5d2caa6f-4
0.476
MAK-UNK-5d2caa6f-5
0.465
MAK-UNK-3e0761f8-9
0.460
MAK-UNK-ec98eaf6-8
0.447
MAK-UNK-5d2caa6f-24
0.446
AHN-SAT-721e3e40-1
0.432
MAK-UNK-ec98eaf6-49
0.430
MAK-UNK-df1a028e-4
0.424
DAR-DIA-3e9bbd81-14
0.414
MAK-UNK-3e0761f8-4
0.409
MAK-UNK-ec98eaf6-50
0.378
DAR-DIA-3e9bbd81-2
0.375
PAU-WEI-b9b69149-4
0.375
MAK-UNK-3f402c2b-13
0.363
MAK-UNK-ec98eaf6-21
0.361
PEI-IMP-e4a008a2-1
0.353
GIA-UNK-c4371e97-3
0.352
MAK-UNK-10799360-22
0.351
MAK-UNK-3f402c2b-25
0.345
MAK-UNK-ec98eaf6-4
0.344
MAK-UNK-3f402c2b-3
0.341
MAK-UNK-ec98eaf6-3
0.340
DAR-DIA-3e9bbd81-9
0.340
DAR-DIA-3e9bbd81-8
0.340
MAK-UNK-ec98eaf6-54
0.339
GIA-UNK-c4371e97-2
0.337
GIA-UNK-7337c2f3-5
0.337
PAU-WEI-b9b69149-6
0.337
MAK-UNK-90d0606b-4
0.333
MAK-UNK-3f402c2b-26
0.333
MAK-UNK-ec98eaf6-13
0.333
DAR-DIA-3e9bbd81-16
0.330
MAK-UNK-90d0606b-1
0.330
MAK-UNK-3f402c2b-2
0.330
GIA-UNK-c4371e97-1
0.330
MAK-UNK-5d2caa6f-12
0.330
DAN-LON-a5fc619e-8
0.330
MAK-UNK-ec98eaf6-25
0.327
MAK-UNK-ec98eaf6-22
0.327
GIA-UNK-7337c2f3-2
0.326
DAR-DIA-3e9bbd81-12
0.326
SIM-SYN-f15aaa3a-1
0.325
MAK-UNK-3f402c2b-29
0.324
MAK-UNK-3f402c2b-14
0.323
GIA-UNK-7337c2f3-13
0.323
GIA-UNK-7337c2f3-8
0.322
MAK-UNK-ec98eaf6-10
0.320
MAK-UNK-ec98eaf6-40
0.320
GIA-UNK-7337c2f3-15
0.319
MAK-UNK-3f402c2b-4
0.318
MAK-UNK-3f402c2b-7
0.318
NIR-THE-c331be7a-2
0.316
MAK-UNK-10799360-26
0.315
MAK-UNK-3f402c2b-9
0.315
GIA-UNK-4de5abb1-1
0.315
PAU-WEI-b9b69149-5
0.314
MAK-UNK-df1a028e-8
0.314
MAK-UNK-ec98eaf6-16
0.313
GIA-UNK-7337c2f3-11
0.312
MAK-UNK-10dfa458-41
0.312
MAK-UNK-3f402c2b-17
0.312
MAK-UNK-3f402c2b-1
0.311
MAK-UNK-3f402c2b-6
0.311
MAK-UNK-3f402c2b-27
0.310
MAK-UNK-10dfa458-40
0.308
MAK-UNK-ec98eaf6-2
0.307
MAK-UNK-3f402c2b-22
0.307
DAR-DIA-3e9bbd81-1
0.306
SAD-SAT-581007d4-10
0.305
MAK-UNK-3f402c2b-11
0.304
GIA-UNK-7337c2f3-7
0.303
MAK-UNK-3f402c2b-5
0.303
MAK-UNK-ec98eaf6-55
0.303
MAK-UNK-3f402c2b-12
0.301
MAK-UNK-ec98eaf6-7
0.301
MAK-UNK-df1a028e-6
0.300
SAD-SAT-3a925b8b-8
0.300
GIA-UNK-7337c2f3-10
0.300
MAK-UNK-3f402c2b-18
0.300
MAK-UNK-10799360-5
0.300
MAK-UNK-ec98eaf6-11
0.297
MAK-UNK-ec98eaf6-19
0.297
MAK-UNK-ec98eaf6-24
0.297
MAK-UNK-10dfa458-42
0.297