Molecular Properties | |
SMILES: | O=C(CCl)N1CC2CC1CN2C(c1ccccc1)C(CO)CO |
MW: | 338.14 |
Fraction sp3: | 0.59 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 64.01 |
cLogP: | 0.85 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
MAK-UNK-df1a028e-9
0.619
MAK-UNK-90d0606b-3
0.548
MAK-UNK-5d2caa6f-4
0.534
DAR-DIA-3e9bbd81-3
0.533
MAK-UNK-5d2caa6f-5
0.520
MAK-UNK-3e0761f8-9
0.513
MAK-UNK-10799360-36
0.500
DAR-DIA-3e9bbd81-7
0.500
MAK-UNK-ec98eaf6-49
0.494
MAK-UNK-df1a028e-4
0.493
MAK-UNK-5d2caa6f-24
0.476
AHN-SAT-721e3e40-1
0.462
MAK-UNK-ec98eaf6-51
0.460
DAR-DIA-3e9bbd81-5
0.459
MAK-UNK-ec98eaf6-6
0.456
DAR-DIA-3e9bbd81-6
0.455
MAK-UNK-ec98eaf6-1
0.439
MAK-UNK-ec98eaf6-9
0.438
MAK-UNK-3e0761f8-4
0.434
MAK-UNK-ec98eaf6-50
0.430
GIA-UNK-20b63697-7
0.429
PEI-IMP-e4a008a2-1
0.411
DAR-DIA-3e9bbd81-14
0.407
MAK-UNK-ec98eaf6-53
0.402
MAK-UNK-ec98eaf6-52
0.400
MAK-UNK-ec98eaf6-8
0.398
DAR-DIA-3e9bbd81-13
0.389
MAK-UNK-3f402c2b-7
0.389
MAK-UNK-3f402c2b-25
0.384
MAK-UNK-5d2caa6f-12
0.380
MAK-UNK-ec98eaf6-15
0.378
GIA-UNK-20b63697-1
0.373
MAK-UNK-3f402c2b-4
0.370
MAK-UNK-3f402c2b-13
0.366
MAK-UNK-ec98eaf6-54
0.365
MAK-UNK-3f402c2b-29
0.365
MAK-UNK-90d0606b-1
0.360
MAK-UNK-3f402c2b-27
0.360
MAK-UNK-3f402c2b-6
0.359
MAK-UNK-3f402c2b-3
0.359
MAK-UNK-3f402c2b-1
0.359
MAK-UNK-ec98eaf6-3
0.357
GIA-UNK-c4371e97-2
0.356
MAK-UNK-3f402c2b-5
0.351
MAK-UNK-3f402c2b-26
0.351
MAK-UNK-3f402c2b-11
0.350
MAK-UNK-ec98eaf6-13
0.350
MAK-UNK-ec98eaf6-2
0.348
MAK-UNK-3f402c2b-9
0.346
MAK-UNK-3f402c2b-18
0.346
DAN-LON-a5fc619e-8
0.346
MAK-UNK-ec98eaf6-4
0.346
MAK-UNK-3e0761f8-8
0.342
MAK-UNK-5d2caa6f-20
0.342
MAK-UNK-ec98eaf6-7
0.341
MAK-UNK-10799360-26
0.340
MAK-UNK-3f402c2b-15
0.338
MAK-UNK-3f402c2b-22
0.338
MAK-UNK-3f402c2b-14
0.337
MAK-UNK-ec98eaf6-11
0.337
MAK-UNK-3f402c2b-16
0.333
MAK-UNK-bae89c02-4
0.329
MAK-UNK-3f402c2b-2
0.329
MAK-UNK-3f402c2b-12
0.329
MAK-UNK-3f402c2b-21
0.329
SAD-SAT-3a925b8b-8
0.329
MAK-UNK-df1a028e-8
0.329
MAK-UNK-3f402c2b-17
0.325
MAK-UNK-3f402c2b-24
0.325
MAK-UNK-ec98eaf6-55
0.324
MAK-UNK-ec98eaf6-56
0.321
MAK-UNK-df1a028e-7
0.321
MAK-UNK-90d0606b-4
0.319
DAR-DIA-3e9bbd81-2
0.319
DAR-DIA-3e9bbd81-1
0.318
MAK-UNK-df1a028e-1
0.317
GIA-UNK-c4371e97-1
0.313
MAK-UNK-df1a028e-6
0.312
MAK-UNK-ec98eaf6-16
0.311
MAK-UNK-6ca90168-11
0.311
MAK-UNK-10799360-22
0.308
MAK-UNK-ec98eaf6-24
0.308
MAK-UNK-10799360-32
0.308
MAK-UNK-ec98eaf6-19
0.308
MAK-UNK-ec98eaf6-20
0.307
GIA-UNK-c4371e97-3
0.306
MAK-UNK-ec98eaf6-44
0.306
MAK-UNK-5d2caa6f-21
0.306
SIM-SYN-f15aaa3a-1
0.306
SAD-SAT-581007d4-9
0.305
MAK-UNK-ec98eaf6-21
0.304
MAK-UNK-ec98eaf6-10
0.304
MAK-UNK-ec98eaf6-14
0.302
SAD-SAT-581007d4-10
0.302
MAK-UNK-3f402c2b-19
0.301
SEL-UNI-cd366922-5
0.300
MAK-UNK-10799360-3
0.297
MAK-UNK-10799360-5
0.297
MAK-UNK-5d2caa6f-7
0.297
MAK-UNK-ec98eaf6-48
0.297