Molecular Properties | |
SMILES: | O=C(CCl)N1CC2CC1CN2C(c1ccccc1)C1CCCCC1 |
MW: | 346.18 |
Fraction sp3: | 0.65 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 23.55 |
cLogP: | 3.83 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
MAK-UNK-5d2caa6f-5
0.735
MAK-UNK-3e0761f8-9
0.725
MAK-UNK-5d2caa6f-24
0.645
MAK-UNK-df1a028e-9
0.582
MAK-UNK-90d0606b-3
0.539
MAK-UNK-5d2caa6f-3
0.534
GIA-UNK-20b63697-6
0.493
DAR-DIA-3e9bbd81-3
0.487
DAR-DIA-3e9bbd81-7
0.476
MAK-UNK-df1a028e-4
0.468
MAK-UNK-10799360-36
0.455
DAR-DIA-3e9bbd81-5
0.438
MAK-UNK-ec98eaf6-49
0.437
DAR-DIA-3e9bbd81-6
0.435
MAK-UNK-3e0761f8-4
0.430
MAK-UNK-ec98eaf6-51
0.424
AHN-SAT-721e3e40-1
0.422
MAK-UNK-ec98eaf6-9
0.417
MAK-UNK-ec98eaf6-6
0.417
MAK-UNK-ec98eaf6-1
0.402
MAK-UNK-5d2caa6f-12
0.395
PEI-IMP-e4a008a2-1
0.390
GIA-UNK-20b63697-4
0.383
MAK-UNK-ec98eaf6-8
0.382
MAK-UNK-ec98eaf6-50
0.380
DAR-DIA-3e9bbd81-14
0.375
DAR-DIA-3e9bbd81-13
0.374
MAK-UNK-ec98eaf6-53
0.371
GIA-UNK-20b63697-2
0.366
GIA-UNK-20b63697-3
0.366
GIA-UNK-20b63697-5
0.366
MAK-UNK-3f402c2b-25
0.364
GIA-UNK-20b63697-8
0.361
MAK-UNK-3e0761f8-8
0.358
MAK-UNK-ec98eaf6-52
0.356
MAK-UNK-3f402c2b-4
0.351
MAK-UNK-3f402c2b-7
0.351
MAK-UNK-ec98eaf6-15
0.350
MAK-UNK-ec98eaf6-13
0.349
MAK-UNK-3f402c2b-13
0.349
MAK-UNK-ec98eaf6-2
0.348
MAK-UNK-6ca90168-11
0.347
MAK-UNK-3f402c2b-2
0.345
MAK-UNK-90d0606b-1
0.344
MAK-UNK-3f402c2b-29
0.343
MAK-UNK-3f402c2b-27
0.342
MAK-UNK-3f402c2b-3
0.341
MAK-UNK-3f402c2b-1
0.341
MAK-UNK-3f402c2b-6
0.341
MAK-UNK-ec98eaf6-3
0.341
MAK-UNK-ec98eaf6-54
0.339
GIA-UNK-c4371e97-2
0.338
MAK-UNK-ec98eaf6-11
0.337
MAK-UNK-3f402c2b-5
0.333
MAK-UNK-3f402c2b-11
0.333
MAK-UNK-3f402c2b-26
0.333
DAN-LON-a5fc619e-8
0.329
MAK-UNK-3f402c2b-9
0.329
MAK-UNK-3f402c2b-18
0.329
MAK-UNK-3f402c2b-21
0.329
MAK-UNK-10799360-26
0.327
MAK-UNK-ec98eaf6-7
0.326
MAK-UNK-3f402c2b-17
0.326
MAK-UNK-3f402c2b-14
0.322
GIA-UNK-4de5abb1-3
0.321
MAK-UNK-3f402c2b-22
0.321
MAK-UNK-3f402c2b-15
0.321
MAK-UNK-3f402c2b-16
0.317
SEL-UNI-cd366922-5
0.317
MAK-UNK-bae89c02-4
0.315
GIA-UNK-20b63697-9
0.315
MAK-UNK-3f402c2b-12
0.314
MAK-UNK-ec98eaf6-4
0.314
SAD-SAT-3a925b8b-8
0.313
MAK-UNK-df1a028e-8
0.312
MAK-UNK-10799360-1
0.311
MAK-UNK-3f402c2b-24
0.310
MAK-UNK-5d2caa6f-20
0.310
MAK-UNK-ec98eaf6-24
0.309
MAK-UNK-ec98eaf6-19
0.309
MAK-UNK-ec98eaf6-20
0.308
SAD-SAT-581007d4-9
0.306
DAR-DIA-3e9bbd81-2
0.305
DAR-DIA-3e9bbd81-1
0.304
MAK-UNK-df1a028e-1
0.302
MAK-UNK-ec98eaf6-55
0.301
GIA-UNK-c4371e97-1
0.299
MAK-UNK-5d2caa6f-7
0.298
MAK-UNK-df1a028e-6
0.298
MAK-UNK-10799360-32
0.296
MAK-UNK-bae89c02-3
0.295
MAK-UNK-10799360-35
0.293
MAK-UNK-90d0606b-4
0.293
MAK-UNK-10799360-20
0.293
GIA-UNK-c4371e97-3
0.292
MAK-UNK-ec98eaf6-10
0.292
MAK-UNK-ec98eaf6-21
0.292
MAK-UNK-df1a028e-7
0.291
SIM-SYN-f15aaa3a-1
0.289
SAD-SAT-581007d4-10
0.289