Molecular Properties | |
SMILES: | N#Cc1cc(C(c2ccccc2)N2CC3CC2CN3C(=O)CCl)c2ccccc2c1 |
MW: | 415.15 |
Fraction sp3: | 0.28 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 47.34 |
cLogP: | 4.32 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
DAR-DIA-3e9bbd81-5
0.735
DAR-DIA-3e9bbd81-7
0.591
MAK-UNK-df1a028e-9
0.564
DAR-DIA-3e9bbd81-3
0.500
DAR-DIA-3e9bbd81-2
0.489
MAK-UNK-ec98eaf6-15
0.476
MAK-UNK-ec98eaf6-8
0.467
MAK-UNK-ec98eaf6-51
0.455
MAK-UNK-5d2caa6f-3
0.455
DAR-DIA-3e9bbd81-13
0.448
MAK-UNK-10799360-36
0.438
MAK-UNK-3e0761f8-9
0.436
MAK-UNK-5d2caa6f-4
0.435
MAK-UNK-90d0606b-3
0.430
MAK-UNK-5d2caa6f-5
0.426
MAK-UNK-ec98eaf6-9
0.421
MAK-UNK-ec98eaf6-6
0.421
MAK-UNK-5d2caa6f-24
0.410
MAK-UNK-ec98eaf6-53
0.406
MAK-UNK-df1a028e-4
0.402
MAK-UNK-ec98eaf6-49
0.396
AHN-SAT-721e3e40-1
0.396
MAK-UNK-ec98eaf6-1
0.394
MAK-UNK-ec98eaf6-52
0.391
DAR-DIA-3e9bbd81-14
0.383
DAR-DIA-3e9bbd81-1
0.374
MAK-UNK-3f402c2b-14
0.365
MAK-UNK-3e0761f8-4
0.363
MAK-UNK-ec98eaf6-24
0.363
MAK-UNK-ec98eaf6-21
0.359
DAR-DIA-fb20be43-6
0.354
DAR-DIA-3e9bbd81-9
0.352
DAR-DIA-3e9bbd81-8
0.352
DAR-DIA-3e9bbd81-11
0.351
MAK-UNK-10799360-22
0.350
MAK-UNK-ec98eaf6-50
0.349
MAK-UNK-3f402c2b-13
0.347
MAK-UNK-ec98eaf6-19
0.337
MAK-UNK-ec98eaf6-22
0.327
PEI-IMP-e4a008a2-1
0.323
MAK-UNK-3f402c2b-4
0.319
MAK-UNK-ec98eaf6-54
0.317
MAK-UNK-ec98eaf6-16
0.314
MAK-UNK-ec98eaf6-3
0.314
MAK-UNK-3f402c2b-3
0.312
MAK-UNK-3f402c2b-27
0.312
MAK-UNK-10799360-35
0.309
MAK-UNK-3f402c2b-29
0.309
MAK-UNK-ec98eaf6-10
0.308
GIA-UNK-c4371e97-2
0.308
GIA-UNK-7337c2f3-15
0.307
MAK-UNK-3f402c2b-11
0.306
MAK-UNK-10799360-26
0.305
MAK-UNK-ec98eaf6-25
0.305
MAK-UNK-90d0606b-1
0.305
MAK-UNK-ec98eaf6-4
0.303
MAK-UNK-5d2caa6f-12
0.303
MAK-UNK-ec98eaf6-7
0.303
DAN-LON-a5fc619e-8
0.302
MAK-UNK-90d0606b-4
0.297
MAK-UNK-ec98eaf6-2
0.296
SIM-SYN-f15aaa3a-1
0.295
PAU-WEI-3e86dfd8-1
0.294
MAK-UNK-ec98eaf6-13
0.293
MAK-UNK-3f402c2b-26
0.292
MAK-UNK-bae89c02-4
0.291
DAR-DIA-3e9bbd81-4
0.291
MAK-UNK-3f402c2b-7
0.290
GIA-UNK-c4371e97-1
0.290
MAK-UNK-3f402c2b-2
0.290
GIA-UNK-7337c2f3-6
0.289
MAK-UNK-df1a028e-6
0.289
SAD-SAT-3a925b8b-8
0.289
MAK-UNK-df1a028e-8
0.287
MAK-UNK-3f402c2b-25
0.287
MAK-UNK-3f402c2b-17
0.287
MAK-UNK-bae89c02-3
0.287
MAK-UNK-ec98eaf6-11
0.287
MAK-UNK-90d0606b-7
0.286
MAK-UNK-3f402c2b-6
0.286
PAU-WEI-b9b69149-4
0.284
GIA-UNK-c4371e97-3
0.284
MAK-UNK-ec98eaf6-55
0.283
DAR-DIA-3e9bbd81-16
0.283
GIA-UNK-7337c2f3-9
0.283
GIA-UNK-7337c2f3-5
0.283
SAD-SAT-581007d4-10
0.282
MAK-UNK-3f402c2b-22
0.281
MAK-UNK-df1a028e-1
0.280
MAR-TRE-6a44bbf2-92
0.280
GIA-UNK-7337c2f3-7
0.278
MAK-UNK-3f402c2b-16
0.278
MAK-UNK-3f402c2b-5
0.278
MAK-UNK-3f402c2b-12
0.277
GIA-UNK-4de5abb1-1
0.276
MAK-UNK-3f402c2b-9
0.276
MAK-UNK-3f402c2b-21
0.276
GIA-UNK-7337c2f3-3
0.276
MAK-UNK-3f402c2b-18
0.276
DAR-DIA-caba39e3-7
0.275