Molecular Properties | |
SMILES: | O=C1CN(C(=O)NCc2ccc(Cl)cc2CN2CC3CC2CN3C(=O)CCl)CCN1 |
MW: | 453.13 |
Fraction sp3: | 0.55 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 84.99 |
cLogP: | 1.01 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
MAK-UNK-10799360-12
0.688
STU-CHA-5350f95a-1
0.617
MAK-UNK-5d2caa6f-23
0.574
MAK-UNK-10799360-10
0.534
MAK-UNK-ec98eaf6-17
0.532
MAK-UNK-ec98eaf6-25
0.519
MAK-UNK-10799360-21
0.447
MAK-UNK-5d2caa6f-6
0.422
DAN-LON-a5fc619e-8
0.419
DAR-DIA-3e9bbd81-1
0.416
MAK-UNK-df1a028e-8
0.407
MAK-UNK-df1a028e-1
0.406
DAR-DIA-3e9bbd81-10
0.406
MAK-UNK-10799360-19
0.404
MAK-UNK-ec98eaf6-21
0.400
DAR-DIA-3e9bbd81-4
0.393
MAK-UNK-10799360-22
0.390
MAK-UNK-ec98eaf6-24
0.390
MAK-UNK-df1a028e-6
0.389
STU-CHA-6cae54d3-1
0.387
MAK-UNK-bae89c02-4
0.386
MAK-UNK-3f402c2b-3
0.385
MAK-UNK-10799360-20
0.385
MAK-UNK-ec98eaf6-22
0.381
MAK-UNK-3f402c2b-14
0.380
MAK-UNK-3f402c2b-26
0.379
MAK-UNK-bae89c02-3
0.377
MAK-UNK-ec98eaf6-14
0.376
SAD-SAT-581007d4-10
0.376
DAR-DIA-3e9bbd81-2
0.374
MAK-UNK-ec98eaf6-23
0.374
MAK-UNK-10799360-6
0.373
SAD-SAT-581007d4-9
0.367
DAR-DIA-3e9bbd81-9
0.366
MAK-UNK-3f402c2b-16
0.365
MAK-UNK-3f402c2b-21
0.361
MAK-UNK-ec98eaf6-47
0.360
MAK-UNK-10799360-17
0.358
MAK-UNK-ec98eaf6-57
0.358
MAK-UNK-10799360-23
0.358
MAK-UNK-5d2caa6f-7
0.355
MAK-UNK-3f402c2b-22
0.354
MAK-UNK-10799360-4
0.354
DAR-DIA-3e9bbd81-8
0.354
MAK-UNK-3e0761f8-10
0.352
STU-CHA-7b3b91d5-1
0.351
MAK-UNK-ec98eaf6-28
0.350
MAK-UNK-10799360-16
0.345
MAK-UNK-ec98eaf6-16
0.343
MAK-UNK-ec98eaf6-10
0.336
MAK-UNK-ec98eaf6-7
0.330
MAK-UNK-ec98eaf6-11
0.327
MAK-UNK-ec98eaf6-20
0.327
MAK-UNK-3f402c2b-15
0.327
MAK-UNK-90d0606b-1
0.321
AHN-SAT-721e3e40-1
0.318
MAK-UNK-10799360-29
0.314
HYO-UNK-1dbfcf16-1
0.312
MAK-UNK-ec98eaf6-2
0.312
MAK-UNK-ec98eaf6-19
0.304
MAK-UNK-ec98eaf6-13
0.298
MAK-UNK-10799360-36
0.298
MAK-UNK-3f402c2b-5
0.297
MAK-UNK-10799360-32
0.294
MAK-UNK-3f402c2b-25
0.293
MED-COV-4280ac29-37
0.292
MAK-UNK-ec98eaf6-6
0.291
MAK-UNK-3f402c2b-27
0.290
MAK-UNK-10799360-30
0.289
PEI-IMP-e4a008a2-1
0.287
MAK-UNK-5d2caa6f-24
0.287
MAK-UNK-ec98eaf6-15
0.286
STU-CHA-6d5cfe2b-1
0.284
MAK-UNK-3f402c2b-29
0.284
MAK-UNK-ec98eaf6-1
0.283
MAK-UNK-3f402c2b-2
0.283
MAK-UNK-3f402c2b-12
0.283
MAK-UNK-ec98eaf6-4
0.283
MAK-UNK-3f402c2b-4
0.283
MAK-UNK-ec98eaf6-50
0.282
MAK-UNK-ec98eaf6-3
0.282
MAK-UNK-3f402c2b-17
0.280
DAR-DIA-fb20be43-16
0.280
TAM-UNI-d1c3dd9f-1
0.280
MAK-UNK-90d0606b-7
0.279
DAR-DIA-3e9bbd81-3
0.279
MAK-UNK-3f402c2b-24
0.279
MAK-UNK-10799360-26
0.278
MAK-UNK-df1a028e-9
0.277
DAN-LON-a5fc619e-7
0.277
ASH-SAT-43770c7d-4
0.276
MAK-UNK-ec98eaf6-49
0.276
SAD-SAT-c989feaa-3
0.275
DAR-DIA-3e9bbd81-14
0.270
MAK-UNK-3f402c2b-7
0.270
MAK-UNK-3f402c2b-9
0.269
MAK-UNK-3e0761f8-9
0.268
MAK-UNK-5d2caa6f-17
0.267
MAK-UNK-10799360-28
0.267
MAK-UNK-3f402c2b-1
0.267