Molecular Properties | |
SMILES: | O=C(NCc1ccc(Cl)cc1CN1CC2CC1CN2C(=O)CCl)[C@@H]1CCCOC1 |
MW: | 439.14 |
Fraction sp3: | 0.62 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 61.88 |
cLogP: | 2.41 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
MAK-UNK-10799360-12
0.674
STU-CHA-7b3b91d5-1
0.624
MAK-UNK-10799360-10
0.582
MAK-UNK-10799360-8
0.574
MAK-UNK-ec98eaf6-17
0.549
MAK-UNK-ec98eaf6-25
0.534
DAR-DIA-3e9bbd81-1
0.443
MAK-UNK-ec98eaf6-24
0.430
MAK-UNK-5d2caa6f-6
0.420
MAK-UNK-df1a028e-1
0.419
DAN-LON-a5fc619e-8
0.418
MAK-UNK-10799360-22
0.416
MAK-UNK-bae89c02-4
0.412
MAK-UNK-ec98eaf6-21
0.412
MAK-UNK-3f402c2b-14
0.406
MAK-UNK-df1a028e-8
0.404
DAR-DIA-3e9bbd81-10
0.404
DAR-DIA-3e9bbd81-2
0.398
MAK-UNK-ec98eaf6-23
0.398
MAK-UNK-ec98eaf6-22
0.392
MAK-UNK-3f402c2b-26
0.391
MAK-UNK-3f402c2b-16
0.391
DAR-DIA-3e9bbd81-4
0.390
MAK-UNK-10799360-23
0.390
MAK-UNK-10799360-19
0.389
MAK-UNK-ec98eaf6-14
0.388
MAK-UNK-df1a028e-6
0.387
MAK-UNK-3f402c2b-3
0.383
MAK-UNK-10799360-21
0.377
MAK-UNK-bae89c02-3
0.375
MAK-UNK-3e0761f8-10
0.373
MAK-UNK-3f402c2b-21
0.372
STU-CHA-6cae54d3-1
0.371
MAK-UNK-10799360-20
0.370
MAK-UNK-ec98eaf6-57
0.368
MAK-UNK-10799360-17
0.368
MAK-UNK-3f402c2b-22
0.366
MAK-UNK-5d2caa6f-7
0.365
SAD-SAT-581007d4-9
0.365
DAR-DIA-3e9bbd81-9
0.364
SAD-SAT-581007d4-10
0.360
MAK-UNK-10799360-6
0.358
MAK-UNK-ec98eaf6-47
0.357
MAK-UNK-ec98eaf6-16
0.352
DAR-DIA-3e9bbd81-8
0.351
MAK-UNK-10799360-4
0.351
MAK-UNK-ec98eaf6-28
0.348
MAK-UNK-ec98eaf6-7
0.339
MAK-UNK-ec98eaf6-19
0.336
MAK-UNK-ec98eaf6-11
0.336
MAK-UNK-ec98eaf6-2
0.333
MAK-UNK-ec98eaf6-10
0.333
MAK-UNK-10799360-16
0.330
MAK-UNK-90d0606b-1
0.330
MAK-UNK-10799360-36
0.320
MAK-UNK-3f402c2b-25
0.316
MAK-UNK-ec98eaf6-3
0.314
MAK-UNK-ec98eaf6-20
0.311
MAK-UNK-ec98eaf6-6
0.311
MAK-UNK-10799360-29
0.310
MAK-UNK-3f402c2b-15
0.309
STU-CHA-5350f95a-1
0.307
STU-CHA-6d5cfe2b-1
0.304
MAK-UNK-ec98eaf6-15
0.303
MAK-UNK-ec98eaf6-1
0.303
AHN-SAT-721e3e40-1
0.302
MAK-UNK-10799360-32
0.301
DAR-DIA-3e9bbd81-3
0.299
MAK-UNK-90d0606b-7
0.299
MAK-UNK-3f402c2b-27
0.299
MAK-UNK-10799360-30
0.297
MAK-UNK-ec98eaf6-13
0.294
MAK-UNK-3f402c2b-29
0.294
MAK-UNK-3f402c2b-4
0.292
MAK-UNK-3f402c2b-7
0.292
MAK-UNK-ec98eaf6-4
0.291
MAK-UNK-5d2caa6f-5
0.290
DAR-DIA-3e9bbd81-14
0.288
TAM-UNI-d1c3dd9f-1
0.287
DAR-DIA-fb20be43-16
0.287
HYO-UNK-1dbfcf16-1
0.286
MAK-UNK-df1a028e-9
0.286
MAK-UNK-10799360-26
0.285
MAK-UNK-ec98eaf6-45
0.284
MAK-UNK-5d2caa6f-16
0.284
PET-UNK-f92d7c0c-6
0.280
MAK-UNK-3f402c2b-5
0.280
PET-UNK-f92d7c0c-1
0.280
MAK-UNK-ec98eaf6-50
0.278
MED-COV-4280ac29-37
0.276
DAR-DIA-3e9bbd81-5
0.276
MAK-UNK-10799360-35
0.276
MAK-UNK-3e0761f8-9
0.275
MAK-UNK-ec98eaf6-9
0.275
EDG-MED-ba1ac7b9-23
0.275
MAK-UNK-3f402c2b-24
0.275
EDG-MED-ba1ac7b9-13
0.272
MAK-UNK-ec98eaf6-49
0.272
MAK-UNK-5d2caa6f-4
0.271
PEI-IMP-e4a008a2-1
0.270