Molecular Properties | |
SMILES: | O=C1Cc2c(cccc2CN2CC3CC2CN3C(=O)CCl)CCN1 |
MW: | 347.14 |
Fraction sp3: | 0.56 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 52.65 |
cLogP: | 0.93 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
MAK-UNK-10799360-20
0.568
TAM-UNI-d1c3dd9f-14
0.548
MAK-UNK-3f402c2b-14
0.471
MAK-UNK-3f402c2b-26
0.457
DAN-LON-a5fc619e-8
0.451
DAR-DIA-3e9bbd81-4
0.447
MAK-UNK-10799360-8
0.447
MAK-UNK-bae89c02-3
0.446
MAK-UNK-bae89c02-4
0.443
MAK-UNK-ec98eaf6-21
0.441
MAK-UNK-3f402c2b-16
0.439
MAK-UNK-df1a028e-8
0.438
MAK-UNK-df1a028e-1
0.435
DAR-DIA-3e9bbd81-8
0.429
MAK-UNK-3f402c2b-3
0.429
DAR-DIA-3e9bbd81-1
0.429
MAK-UNK-ec98eaf6-17
0.424
MAK-UNK-10799360-6
0.423
MAK-UNK-5d2caa6f-6
0.419
MAK-UNK-df1a028e-6
0.417
MAK-UNK-10799360-4
0.414
DAR-DIA-3e9bbd81-2
0.411
MAK-UNK-3f402c2b-22
0.410
MAK-UNK-ec98eaf6-47
0.406
MAK-UNK-5d2caa6f-7
0.404
DAR-DIA-3e9bbd81-10
0.402
DAR-DIA-3e9bbd81-9
0.400
MAK-UNK-3f402c2b-21
0.400
MAK-UNK-10799360-22
0.400
MAK-UNK-ec98eaf6-24
0.400
SAD-SAT-581007d4-10
0.400
MAK-UNK-10799360-12
0.398
MAK-UNK-ec98eaf6-10
0.396
SAD-SAT-581007d4-9
0.391
MAK-UNK-ec98eaf6-22
0.389
MAK-UNK-ec98eaf6-16
0.389
MAK-UNK-ec98eaf6-11
0.385
MAK-UNK-ec98eaf6-14
0.385
MAK-UNK-ec98eaf6-25
0.383
MAK-UNK-5d2caa6f-23
0.377
MAK-UNK-10799360-19
0.373
MAK-UNK-10799360-10
0.368
MAK-UNK-ec98eaf6-23
0.367
MAK-UNK-10799360-29
0.365
MAK-UNK-90d0606b-1
0.365
MAK-UNK-10799360-16
0.364
MAK-UNK-ec98eaf6-7
0.360
MAK-UNK-ec98eaf6-20
0.358
MAK-UNK-3e0761f8-10
0.357
MAK-UNK-ec98eaf6-2
0.354
MAK-UNK-10799360-23
0.351
MAK-UNK-10799360-17
0.350
MAK-UNK-ec98eaf6-57
0.350
MAK-UNK-90d0606b-7
0.344
MAK-UNK-ec98eaf6-28
0.343
MAK-UNK-3f402c2b-9
0.337
MAK-UNK-3f402c2b-1
0.333
MAK-UNK-3f402c2b-24
0.333
MAK-UNK-ec98eaf6-19
0.330
MAK-UNK-3f402c2b-15
0.330
PEI-IMP-e4a008a2-1
0.330
MAK-UNK-3f402c2b-13
0.326
MAK-UNK-10799360-36
0.326
MAK-UNK-10799360-30
0.324
MAK-UNK-5d2caa6f-24
0.324
MAK-UNK-ec98eaf6-4
0.323
MAK-UNK-3f402c2b-2
0.323
MAK-UNK-3f402c2b-25
0.322
MAK-UNK-df1a028e-9
0.318
MAK-UNK-3f402c2b-27
0.318
MAK-UNK-3f402c2b-29
0.316
MAK-UNK-10799360-32
0.316
MAK-UNK-10799360-35
0.314
MAK-UNK-3f402c2b-11
0.312
MAK-UNK-ec98eaf6-13
0.312
MAK-UNK-3f402c2b-5
0.311
MAK-UNK-3f402c2b-7
0.310
MAK-UNK-3f402c2b-4
0.310
MAK-UNK-10799360-26
0.310
MAK-UNK-df1a028e-4
0.309
SAD-SAT-3a925b8b-8
0.308
MAK-UNK-ec98eaf6-3
0.306
MAK-UNK-3f402c2b-17
0.305
MAK-UNK-3f402c2b-6
0.304
MAK-UNK-ec98eaf6-6
0.303
DAR-DIA-3e9bbd81-3
0.303
MAK-UNK-ec98eaf6-49
0.298
MAK-UNK-3f402c2b-12
0.295
MAK-UNK-5d2caa6f-12
0.295
MAK-UNK-ec98eaf6-1
0.294
AHN-SAT-721e3e40-1
0.293
TAM-UNI-d1c3dd9f-13
0.290
MAK-UNK-ec98eaf6-15
0.284
MAK-UNK-5d2caa6f-3
0.284
MAK-UNK-90d0606b-3
0.283
MAK-UNK-ec98eaf6-51
0.282
MAK-UNK-10799360-5
0.282
MAK-UNK-ec98eaf6-50
0.280
MAK-UNK-3e0761f8-4
0.279
MAK-UNK-90d0606b-4
0.278