Molecular Properties | |
SMILES: | O=C(NCCN1CC2CC1CN2C(=O)CCl)c1cccnc1 |
MW: | 322.12 |
Fraction sp3: | 0.53 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 65.54 |
cLogP: | 0.34 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
MAK-UNK-ec98eaf6-19
0.537
STE-KUL-2e0d2e88-3
0.494
MAK-UNK-90d0606b-1
0.425
DAN-LON-a5fc619e-8
0.418
MAK-UNK-ec98eaf6-10
0.411
MAK-UNK-3f402c2b-22
0.410
MAK-UNK-3f402c2b-26
0.405
MAK-UNK-5d2caa6f-6
0.404
MAK-UNK-df1a028e-8
0.403
MAK-UNK-3f402c2b-21
0.400
MAK-UNK-ec98eaf6-2
0.396
MAK-UNK-3f402c2b-3
0.395
MAK-UNK-3f402c2b-16
0.388
MAK-UNK-df1a028e-1
0.386
MAK-UNK-10dfa458-35
0.386
MAK-UNK-ec98eaf6-11
0.385
MAK-UNK-df1a028e-6
0.383
MAK-UNK-10799360-6
0.379
MAK-UNK-ec98eaf6-22
0.374
MAK-UNK-5d2caa6f-7
0.374
SAD-SAT-581007d4-9
0.373
MAK-UNK-ec98eaf6-7
0.372
MAK-UNK-3f402c2b-14
0.372
MAK-UNK-5d2caa6f-1
0.372
MAK-UNK-10799360-22
0.370
MAK-UNK-ec98eaf6-23
0.366
MAK-UNK-10799360-20
0.365
MAK-UNK-bae89c02-4
0.364
SAN-PRS-52b81272-1
0.359
MAK-UNK-ec98eaf6-16
0.359
MAK-UNK-10799360-21
0.358
MAK-UNK-10799360-19
0.357
MAK-UNK-3f402c2b-7
0.354
MAK-UNK-ec98eaf6-14
0.352
SAD-SAT-581007d4-10
0.352
DAR-DIA-3e9bbd81-1
0.352
MAK-UNK-ec98eaf6-21
0.351
MAK-UNK-3f402c2b-25
0.350
MAK-UNK-10799360-32
0.349
MAK-UNK-3f402c2b-29
0.348
MAK-UNK-ec98eaf6-17
0.348
MAK-UNK-10799360-17
0.347
MAK-UNK-df1a028e-9
0.346
DAR-DIA-3e9bbd81-4
0.344
MAK-UNK-ec98eaf6-24
0.340
MAK-UNK-bae89c02-3
0.340
MAK-UNK-3f402c2b-4
0.338
DAR-DIA-3e9bbd81-2
0.337
MAK-UNK-ec98eaf6-47
0.337
MAK-UNK-3f402c2b-9
0.333
MAK-UNK-10799360-30
0.333
MAK-UNK-ec98eaf6-57
0.333
MAK-UNK-3e0761f8-10
0.330
MAK-UNK-10799360-12
0.330
MAK-UNK-10799360-4
0.330
DAR-DIA-3e9bbd81-8
0.330
MAK-UNK-3f402c2b-27
0.329
MAK-UNK-10799360-8
0.327
MAK-UNK-2c1752f0-1
0.325
PEI-IMP-e4a008a2-1
0.325
MAK-UNK-5d2caa6f-11
0.324
MAK-UNK-10799360-29
0.324
MAK-UNK-3f402c2b-11
0.322
MAK-UNK-10799360-16
0.320
MAK-UNK-10dfa458-36
0.318
MAK-UNK-5d2caa6f-12
0.318
MAK-UNK-10799360-26
0.318
MAK-UNK-ec98eaf6-25
0.318
MAK-UNK-3f402c2b-18
0.318
DAR-DIA-3e9bbd81-10
0.316
MAK-UNK-ec98eaf6-3
0.315
MAK-UNK-ec98eaf6-28
0.314
MAK-UNK-3f402c2b-1
0.314
MAK-UNK-3f402c2b-6
0.314
MAK-UNK-3e0761f8-9
0.312
MAK-UNK-5d2caa6f-23
0.311
MAK-UNK-3f402c2b-15
0.310
MAK-UNK-3f402c2b-13
0.308
MAK-UNK-5d2caa6f-4
0.308
MAK-UNK-ec98eaf6-13
0.307
MAK-UNK-5d2caa6f-3
0.307
MAK-UNK-10799360-36
0.307
MAK-UNK-5d2caa6f-24
0.306
MAK-UNK-3f402c2b-5
0.306
MAK-UNK-5d2caa6f-9
0.305
MAK-UNK-90d0606b-3
0.304
DAR-DIA-bd041b9b-19
0.304
DAR-DIA-3e9bbd81-9
0.304
MAK-UNK-ec98eaf6-4
0.303
MAK-UNK-3f402c2b-2
0.303
MAK-UNK-df1a028e-4
0.303
MAK-UNK-10799360-10
0.302
AHN-SAT-721e3e40-1
0.301
MAK-UNK-5d2caa6f-5
0.301
MAK-UNK-10799360-1
0.301
MAK-UNK-10799360-23
0.301
MAK-UNK-3f402c2b-24
0.299
DAR-DIA-3e9bbd81-3
0.298
DAV-CRI-1c77f7a9-3
0.297
DAR-DIA-bd041b9b-29
0.294