Molecular Properties | |
SMILES: | CC(=O)N1CCCc2cccc(CN3CC4CC3CN4C(=O)CCl)c2C1 |
MW: | 375.17 |
Fraction sp3: | 0.6 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 43.86 |
cLogP: | 2.01 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
MAK-UNK-10799360-21
0.568
TAM-UNI-d1c3dd9f-13
0.560
MAK-UNK-3f402c2b-14
0.460
MAK-UNK-3f402c2b-3
0.452
MAK-UNK-3f402c2b-26
0.446
DAN-LON-a5fc619e-8
0.440
MAK-UNK-bae89c02-4
0.433
MAK-UNK-df1a028e-1
0.425
DAR-DIA-3e9bbd81-4
0.423
MAK-UNK-ec98eaf6-24
0.421
MAK-UNK-bae89c02-3
0.421
DAR-DIA-3e9bbd81-1
0.419
MAK-UNK-ec98eaf6-21
0.417
MAK-UNK-ec98eaf6-17
0.415
MAK-UNK-10799360-16
0.412
MAK-UNK-3f402c2b-16
0.412
MAK-UNK-ec98eaf6-47
0.412
MAK-UNK-5d2caa6f-6
0.411
MAK-UNK-df1a028e-8
0.410
MAK-UNK-df1a028e-6
0.407
MAK-UNK-3f402c2b-22
0.400
MAK-UNK-5d2caa6f-7
0.396
MAK-UNK-10799360-4
0.392
DAR-DIA-3e9bbd81-8
0.392
MAK-UNK-10799360-22
0.392
MAK-UNK-3f402c2b-21
0.391
MAK-UNK-10799360-12
0.390
DAR-DIA-3e9bbd81-2
0.388
MAK-UNK-ec98eaf6-10
0.388
MAK-UNK-ec98eaf6-23
0.388
MAK-UNK-10799360-6
0.386
MAK-UNK-10799360-8
0.385
MAK-UNK-ec98eaf6-22
0.381
MAK-UNK-ec98eaf6-16
0.381
DAR-DIA-3e9bbd81-10
0.380
MAK-UNK-ec98eaf6-11
0.378
MAK-UNK-ec98eaf6-14
0.376
MAK-UNK-3e0761f8-10
0.375
MAK-UNK-10799360-10
0.374
MAK-UNK-90d0606b-1
0.371
MAK-UNK-5d2caa6f-23
0.370
MAK-UNK-ec98eaf6-3
0.368
SAD-SAT-581007d4-9
0.367
DAR-DIA-3e9bbd81-9
0.365
MAK-UNK-10799360-19
0.365
MAK-UNK-ec98eaf6-20
0.365
MAK-UNK-ec98eaf6-25
0.364
SAD-SAT-581007d4-10
0.362
MAK-UNK-3f402c2b-29
0.360
MAK-UNK-ec98eaf6-2
0.360
MAK-UNK-10799360-23
0.357
MAK-UNK-10799360-17
0.356
MAK-UNK-ec98eaf6-57
0.356
MAK-UNK-ec98eaf6-7
0.353
MAK-UNK-ec98eaf6-28
0.349
MAK-UNK-ec98eaf6-13
0.348
MAK-UNK-10799360-29
0.346
MAK-UNK-3f402c2b-9
0.344
MAK-UNK-ec98eaf6-4
0.344
MAK-UNK-10799360-30
0.343
MAK-UNK-10799360-5
0.340
MAK-UNK-90d0606b-7
0.337
MAK-UNK-ec98eaf6-19
0.337
MAK-UNK-5d2caa6f-12
0.330
MAK-UNK-10799360-26
0.327
MAK-UNK-3f402c2b-27
0.326
PEI-IMP-e4a008a2-1
0.322
MAK-UNK-3f402c2b-4
0.318
MAK-UNK-3f402c2b-25
0.315
MAK-UNK-3f402c2b-1
0.312
MAK-UNK-10799360-32
0.310
MAK-UNK-3e0761f8-9
0.310
MAK-UNK-3f402c2b-15
0.308
TAM-UNI-d1c3dd9f-14
0.307
MAK-UNK-3f402c2b-13
0.306
MAK-UNK-3f402c2b-11
0.305
MAK-UNK-10799360-36
0.305
MAK-UNK-3f402c2b-5
0.304
MAK-UNK-3f402c2b-7
0.303
MAK-UNK-df1a028e-4
0.302
MAK-UNK-3f402c2b-2
0.302
MAK-UNK-ec98eaf6-1
0.301
MAK-UNK-3f402c2b-17
0.299
MAK-UNK-3e0761f8-4
0.298
MAK-UNK-3f402c2b-6
0.298
MAK-UNK-3f402c2b-24
0.298
MAK-UNK-ec98eaf6-9
0.297
MAK-UNK-df1a028e-9
0.297
MAK-UNK-10799360-35
0.296
MAK-UNK-5d2caa6f-4
0.293
MAK-UNK-ec98eaf6-15
0.291
MAK-UNK-90d0606b-3
0.290
MAK-UNK-3f402c2b-12
0.289
SAD-SAT-3a925b8b-8
0.287
AHN-SAT-721e3e40-1
0.287
MAK-UNK-ec98eaf6-50
0.287
MAK-UNK-ec98eaf6-6
0.284
DAR-DIA-3e9bbd81-3
0.284
MAK-UNK-3e0761f8-8
0.284
MAK-UNK-ec98eaf6-49
0.280