Molecular Properties | |
SMILES: | O=C(CCl)N1CC2CC1CN2Cc1cc(Cl)cc2cccc(OCCN3CCOCC3)c12 |
MW: | 477.16 |
Fraction sp3: | 0.54 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 7 |
TPSA: | 45.25 |
cLogP: | 3.23 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
SEA-TRI-67e8f1c7-1
0.630
SEA-TRI-98d2cd42-1
0.481
DAR-DIA-3e9bbd81-1
0.480
MAK-UNK-10799360-10
0.468
DAN-LON-a5fc619e-8
0.457
MAK-UNK-10799360-12
0.446
MAK-UNK-5d2caa6f-6
0.442
DAR-DIA-3e9bbd81-4
0.426
DAR-DIA-3e9bbd81-10
0.426
MAK-UNK-ec98eaf6-17
0.419
MAK-UNK-3e0761f8-10
0.417
MAK-UNK-10799360-19
0.411
MAK-UNK-3f402c2b-14
0.402
SEA-TRI-fac72a44-1
0.400
MAK-UNK-df1a028e-8
0.400
MAK-UNK-df1a028e-1
0.400
MAK-UNK-ec98eaf6-24
0.398
MAK-UNK-ec98eaf6-14
0.398
MAK-UNK-3f402c2b-3
0.394
MAK-UNK-5d2caa6f-2
0.390
MAK-UNK-5d2caa6f-23
0.390
MAK-UNK-3f402c2b-26
0.388
MAK-UNK-bae89c02-3
0.385
MAK-UNK-df1a028e-6
0.384
SEA-TRI-38830027-1
0.375
MAK-UNK-ec98eaf6-25
0.372
DAR-DIA-3e9bbd81-2
0.369
MAK-UNK-5d2caa6f-7
0.364
SEA-TRI-078a8df3-1
0.363
MAK-UNK-10799360-22
0.360
MAK-UNK-3f402c2b-16
0.360
SAD-SAT-581007d4-10
0.358
MAK-UNK-10799360-8
0.358
MAK-UNK-ec98eaf6-23
0.357
MAK-UNK-10799360-20
0.357
MAK-UNK-10799360-6
0.357
MAK-UNK-bae89c02-4
0.355
MAK-UNK-ec98eaf6-22
0.351
MAK-UNK-10799360-21
0.351
DAR-DIA-3e9bbd81-8
0.350
MAK-UNK-10799360-4
0.350
MAK-UNK-3f402c2b-22
0.350
SAD-SAT-581007d4-9
0.350
MAK-UNK-ec98eaf6-11
0.348
MAK-UNK-ec98eaf6-21
0.345
MAK-UNK-ec98eaf6-2
0.345
MAK-UNK-ec98eaf6-47
0.345
MAK-UNK-3f402c2b-21
0.343
MAK-UNK-ec98eaf6-16
0.339
MAK-UNK-ec98eaf6-7
0.339
MAK-UNK-10799360-17
0.330
MAK-UNK-ec98eaf6-57
0.330
MAK-UNK-10799360-16
0.330
DAR-DIA-3e9bbd81-9
0.328
MAK-UNK-ec98eaf6-19
0.325
MAK-UNK-ec98eaf6-10
0.322
MAK-UNK-10799360-32
0.312
MAK-UNK-10799360-36
0.308
MAK-UNK-ec98eaf6-13
0.308
MAK-UNK-90d0606b-1
0.307
MAK-UNK-ec98eaf6-28
0.304
MAK-UNK-ec98eaf6-3
0.304
MAK-UNK-3f402c2b-27
0.301
MAK-UNK-ec98eaf6-20
0.301
MAK-UNK-90d0606b-7
0.301
MAK-UNK-10799360-29
0.301
MAK-UNK-ec98eaf6-4
0.294
MAK-UNK-ec98eaf6-1
0.293
AHN-SAT-721e3e40-1
0.292
DAR-DIA-3e9bbd81-14
0.290
DAR-DIA-3e9bbd81-3
0.289
MAK-UNK-ec98eaf6-6
0.289
MAK-UNK-ec98eaf6-44
0.288
MAK-UNK-3f402c2b-7
0.282
DAR-DIA-3e9bbd81-5
0.279
MAK-UNK-3f402c2b-1
0.278
MAK-UNK-10799360-30
0.278
MED-COV-4280ac29-13
0.278
MAK-UNK-ec98eaf6-45
0.276
DAN-LON-a5fc619e-1
0.275
MAK-UNK-ec98eaf6-49
0.275
MAK-UNK-ec98eaf6-15
0.275
MAK-UNK-ec98eaf6-50
0.270
MAK-UNK-5d2caa6f-5
0.270
DAR-DIA-fb20be43-8
0.268
PAU-UNI-19862c28-1
0.268
DAN-LON-a5fc619e-4
0.268
DAN-LON-a5fc619e-9
0.267
MAK-UNK-10799360-26
0.267
DAR-DIA-6a49afbe-5
0.267
MAK-UNK-3f402c2b-25
0.267
MAK-UNK-3f402c2b-24
0.266
JOH-IMS-1436231f-6
0.265
AAR-POS-0daf6b7e-29
0.265
DAN-LON-a5fc619e-10
0.263
MAK-UNK-ec98eaf6-46
0.263
MAK-UNK-3f402c2b-15
0.262
NAM-UNK-f7c77a48-4
0.262
SAD-SAT-c989feaa-5
0.261
MAK-UNK-10799360-5
0.261