Molecular Properties | |
SMILES: | O=C(NCCN1CC2CC1CN2C(=O)CCl)c1cccc2ccccc12 |
MW: | 371.14 |
Fraction sp3: | 0.4 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 52.65 |
cLogP: | 2.09 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
STE-KUL-2e0d2e88-2
0.537
MAK-UNK-ec98eaf6-20
0.537
MAK-UNK-3f402c2b-14
0.506
DAR-DIA-3e9bbd81-1
0.427
DAR-DIA-3e9bbd81-2
0.424
MAK-UNK-90d0606b-1
0.422
DAN-LON-a5fc619e-8
0.415
MAK-UNK-ec98eaf6-24
0.413
MAK-UNK-3f402c2b-3
0.410
MAK-UNK-10799360-35
0.392
MAK-UNK-6ca90168-1
0.390
ANT-OPE-bf404da3-1
0.386
MAK-UNK-3f402c2b-26
0.386
MAK-UNK-10799360-19
0.384
MAK-UNK-10799360-22
0.383
MAK-UNK-bae89c02-3
0.383
MAK-UNK-3f402c2b-22
0.373
MAK-UNK-90d0606b-7
0.370
MAK-UNK-3f402c2b-16
0.369
MAK-UNK-df1a028e-1
0.368
MAK-UNK-df1a028e-8
0.366
MAK-UNK-3f402c2b-21
0.365
MAK-UNK-ec98eaf6-2
0.365
MAK-UNK-ec98eaf6-47
0.363
MAK-UNK-bae89c02-4
0.363
MAK-UNK-ec98eaf6-22
0.358
MAK-UNK-ec98eaf6-7
0.357
MAK-UNK-3e0761f8-10
0.355
MAK-UNK-ec98eaf6-11
0.354
MAK-UNK-3f402c2b-11
0.352
MAK-UNK-ec98eaf6-10
0.351
MAK-UNK-ec98eaf6-21
0.351
MAK-UNK-df1a028e-6
0.349
MAK-UNK-10799360-17
0.347
MAK-UNK-3f402c2b-27
0.345
MAK-UNK-5d2caa6f-7
0.344
DAR-DIA-3e9bbd81-4
0.343
MAK-UNK-10799360-4
0.343
MAK-UNK-10799360-12
0.343
PEI-IMP-e4a008a2-1
0.341
SAD-SAT-581007d4-9
0.341
MAK-UNK-ec98eaf6-23
0.337
MAK-UNK-10799360-20
0.337
MAK-UNK-10799360-6
0.337
DAR-DIA-3e9bbd81-6
0.337
MAK-UNK-5d2caa6f-23
0.336
MAK-UNK-10799360-32
0.336
MAK-UNK-3f402c2b-9
0.333
MAK-UNK-10799360-30
0.333
MAK-UNK-ec98eaf6-57
0.333
MAK-UNK-ec98eaf6-17
0.333
MAK-UNK-ec98eaf6-25
0.330
DAR-DIA-3e9bbd81-8
0.330
MAK-UNK-10799360-21
0.330
MAK-UNK-5d2caa6f-6
0.330
MAK-UNK-df1a028e-9
0.329
MAK-UNK-3f402c2b-29
0.329
MAK-UNK-10799360-23
0.325
MAK-UNK-10799360-29
0.324
DAR-DIA-3e9bbd81-5
0.324
MAK-UNK-ec98eaf6-14
0.323
SAD-SAT-581007d4-10
0.323
MAK-UNK-3f402c2b-4
0.321
MAK-UNK-3f402c2b-7
0.321
MAK-UNK-90d0606b-3
0.319
MAK-UNK-5d2caa6f-12
0.319
MAK-UNK-df1a028e-4
0.319
MAK-UNK-10799360-26
0.318
MAK-UNK-3f402c2b-25
0.318
DAR-DIA-3e9bbd81-9
0.317
DAR-DIA-3e9bbd81-10
0.317
AHN-SAT-721e3e40-1
0.316
MAK-UNK-ec98eaf6-3
0.316
MAK-UNK-3f402c2b-6
0.315
MAK-UNK-3e0761f8-9
0.312
MAK-UNK-3f402c2b-15
0.310
MAK-UNK-6ca90168-2
0.310
MAK-UNK-3f402c2b-13
0.309
MAK-UNK-5d2caa6f-4
0.309
MAK-UNK-ec98eaf6-13
0.308
MAK-UNK-5d2caa6f-3
0.308
MAK-UNK-10799360-36
0.308
MAK-UNK-ec98eaf6-49
0.307
MAK-UNK-10799360-16
0.307
MAK-UNK-3f402c2b-5
0.307
MAK-UNK-ec98eaf6-4
0.304
MAK-UNK-3f402c2b-2
0.304
MAK-UNK-10799360-8
0.304
MAK-UNK-ec98eaf6-16
0.303
MAK-UNK-ec98eaf6-28
0.303
MAK-UNK-10799360-10
0.303
MAK-UNK-5d2caa6f-5
0.302
DRR-IMP-db50bf6e-4
0.300
MAK-UNK-3f402c2b-1
0.300
MAK-UNK-3e0761f8-4
0.300
DAR-DIA-3e9bbd81-14
0.299
DAR-DIA-3e9bbd81-3
0.299
DAR-DIA-3e9bbd81-7
0.297
MAK-UNK-ec98eaf6-54
0.297
JAR-IMP-ed466bb3-3
0.290