Molecular Properties | |
SMILES: | O=C(Nc1ccccc1O)C1CC2CC1CN2C(=O)CCl |
MW: | 308.09 |
Fraction sp3: | 0.47 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 69.64 |
cLogP: | 1.81 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
catechol
MAK-UNK-5d2caa6f-21
0.708
MAK-UNK-5d2caa6f-20
0.631
MAK-UNK-5d2caa6f-16
0.574
MAK-UNK-5d2caa6f-13
0.571
MAK-UNK-5d2caa6f-1
0.563
MAK-UNK-3e0761f8-1
0.557
MAK-UNK-5d2caa6f-15
0.551
MAK-UNK-3e0761f8-5
0.533
MAK-UNK-90d0606b-9
0.533
MAK-UNK-90d0606b-8
0.533
MAK-UNK-3e0761f8-3
0.524
MAK-UNK-ec98eaf6-5
0.523
MAK-UNK-90d0606b-2
0.514
MAK-UNK-5d2caa6f-22
0.512
MAK-UNK-90d0606b-10
0.506
MAR-TRE-6a44bbf2-15
0.493
AAR-POS-0daf6b7e-6
0.493
MAK-UNK-5d2caa6f-14
0.482
MAK-UNK-5d2caa6f-17
0.481
MAK-UNK-5d2caa6f-19
0.476
MAK-UNK-3e0761f8-8
0.472
SWA-SYN-d2e6fa14-1
0.435
SWA-SYN-6423ea73-1
0.435
MAK-UNK-5d2caa6f-18
0.432
MAK-UNK-3f402c2b-28
0.414
SWA-SYN-d2e6fa14-2
0.411
SWA-SYN-6423ea73-2
0.411
MAK-UNK-3f402c2b-20
0.408
MAK-UNK-3f402c2b-18
0.400
MAK-UNK-ec98eaf6-32
0.358
MAK-UNK-ec98eaf6-36
0.348
MAK-UNK-df1a028e-5
0.346
MAK-UNK-10799360-24
0.344
MAK-UNK-bae89c02-2
0.344
MAK-UNK-10799360-25
0.341
MAK-UNK-ec98eaf6-43
0.338
MAK-UNK-10799360-34
0.333
MAK-UNK-ec98eaf6-35
0.333
LON-WEI-120e5cf5-16
0.329
MAK-UNK-ec98eaf6-48
0.326
PEI-IMP-e4a008a2-1
0.321
MAK-UNK-5d2caa6f-11
0.320
MAK-UNK-ec98eaf6-38
0.317
MAK-UNK-3f402c2b-7
0.316
MAK-UNK-90d0606b-1
0.315
MAK-UNK-3d7e3904-3
0.310
MAK-UNK-3d7e3904-2
0.310
MAK-UNK-90d0606b-6
0.309
MAK-UNK-df1a028e-9
0.308
MAK-UNK-df1a028e-7
0.305
MAK-UNK-a7992eb3-7
0.303
MAK-UNK-df1a028e-1
0.301
MAK-UNK-5d2caa6f-3
0.301
MAK-UNK-3e0761f8-6
0.301
MAK-UNK-69bf97dd-4
0.301
MAK-UNK-10799360-11
0.299
MAK-UNK-10799360-2
0.297
MAK-UNK-3f402c2b-25
0.295
MAK-UNK-3e0761f8-7
0.294
JAR-IMP-ed466bb3-10
0.293
MAK-UNK-3f402c2b-6
0.293
MAK-UNK-3f402c2b-3
0.293
JAR-IMP-ed466bb3-17
0.292
JAR-IMP-ed466bb3-12
0.291
MAK-UNK-3f402c2b-27
0.291
MAK-UNK-3f402c2b-14
0.291
MAK-UNK-ec98eaf6-10
0.290
MAK-UNK-ec98eaf6-37
0.290
MAK-UNK-10799360-7
0.289
MAK-UNK-3f402c2b-22
0.287
MAK-UNK-3f402c2b-13
0.287
MAK-UNK-10799360-17
0.287
MAK-UNK-3f402c2b-11
0.286
MAK-UNK-69bf97dd-5
0.284
MAK-UNK-90d0606b-3
0.284
MAK-UNK-bae89c02-4
0.284
MAK-UNK-3f402c2b-26
0.284
MAK-UNK-3f402c2b-29
0.284
LON-WEI-120e5cf5-18
0.283
SWA-SYN-d2e6fa14-3
0.282
SWA-SYN-6423ea73-3
0.282
MAK-UNK-3f402c2b-2
0.282
MAK-UNK-df1a028e-4
0.282
MAK-UNK-5d2caa6f-12
0.282
MAR-TRE-6a44bbf2-86
0.282
LON-WEI-120e5cf5-15
0.282
MAK-UNK-3f402c2b-4
0.282
MAK-UNK-3f402c2b-9
0.280
MAK-UNK-df1a028e-6
0.280
DAN-LON-a5fc619e-8
0.280
MAK-UNK-a7992eb3-9
0.280
MAR-TRE-6a44bbf2-21
0.280
MAK-UNK-7c9d1431-9
0.280
MAK-UNK-bae89c02-3
0.280
MAK-UNK-a7992eb3-8
0.280
MAK-UNK-3e0761f8-9
0.278
LON-WEI-120e5cf5-14
0.278
MAK-UNK-10799360-9
0.277
MAK-UNK-3f402c2b-1
0.277
DAR-DIA-3e9bbd81-1
0.275