Molecular Properties | |
SMILES: | COc1cc(NC(=O)C2CC3CC2CN3C(=O)CCl)cc(OC)c1OC |
MW: | 382.13 |
Fraction sp3: | 0.56 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 77.1 |
cLogP: | 2.13 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
MAK-UNK-90d0606b-10
0.600
MAK-UNK-5d2caa6f-20
0.594
MAK-UNK-3e0761f8-1
0.592
MAK-UNK-5d2caa6f-16
0.586
MAK-UNK-90d0606b-8
0.566
MAK-UNK-5d2caa6f-1
0.554
LON-WEI-120e5cf5-3
0.521
MAK-UNK-3f402c2b-19
0.514
MAK-UNK-3e0761f8-5
0.506
MAK-UNK-5d2caa6f-19
0.506
MAK-UNK-5d2caa6f-17
0.494
MAK-UNK-5d2caa6f-21
0.494
MAK-UNK-90d0606b-9
0.487
MAK-UNK-5d2caa6f-14
0.477
MAK-UNK-5d2caa6f-13
0.471
MAK-UNK-5d2caa6f-15
0.453
MAK-UNK-3e0761f8-3
0.449
MAK-UNK-5d2caa6f-18
0.443
MAK-UNK-ec98eaf6-5
0.438
MAR-TRE-6a44bbf2-88
0.438
MAK-UNK-5d2caa6f-22
0.437
MAK-UNK-3f402c2b-28
0.431
MAK-UNK-3e0761f8-8
0.410
MAK-UNK-3f402c2b-20
0.405
ANT-LOU-17aa1493-3
0.400
ANT-LOU-17aa1493-2
0.375
MAK-UNK-ec98eaf6-32
0.373
MAK-UNK-ec98eaf6-43
0.354
MAK-UNK-ec98eaf6-38
0.349
MAK-UNK-3f402c2b-18
0.346
MAK-UNK-10799360-25
0.340
MAK-UNK-10799360-24
0.330
MAK-UNK-df1a028e-5
0.329
MAK-UNK-3f402c2b-27
0.325
MAK-UNK-ec98eaf6-37
0.319
MAK-UNK-ec98eaf6-35
0.319
MAK-UNK-ec98eaf6-36
0.319
MAK-UNK-3e0761f8-6
0.316
MAK-UNK-ec98eaf6-33
0.313
MAK-UNK-ec98eaf6-48
0.312
MAK-UNK-3e0761f8-7
0.308
MAK-UNK-ec98eaf6-14
0.303
MAK-UNK-10799360-7
0.303
MAK-UNK-ec98eaf6-17
0.301
MAK-UNK-7c9d1431-19
0.298
MAK-UNK-10799360-34
0.292
MAK-UNK-7c9d1431-30
0.287
MAR-TRE-6a44bbf2-45
0.287
MAK-UNK-90d0606b-1
0.287
MAK-UNK-10799360-11
0.287
MAK-UNK-3f402c2b-29
0.286
MAK-UNK-3f402c2b-12
0.284
MAK-UNK-90d0606b-6
0.283
AAR-POS-5507155c-2
0.281
AAR-POS-f650c5f2-4
0.281
LON-WEI-120e5cf5-17
0.281
LON-WEI-120e5cf5-1
0.281
MAK-UNK-ec98eaf6-23
0.278
MAK-UNK-ec98eaf6-34
0.276
MAK-UNK-3f402c2b-22
0.274
MAK-UNK-df1a028e-1
0.273
MAR-TRE-6a44bbf2-82
0.273
MAK-UNK-3f402c2b-2
0.270
MAK-UNK-3f402c2b-4
0.268
MAK-UNK-3f402c2b-7
0.268
MAK-UNK-ec98eaf6-24
0.268
MAK-UNK-df1a028e-6
0.267
DAN-MCD-0c04f563-1
0.267
MAK-UNK-3f402c2b-17
0.267
MAK-UNK-10799360-9
0.267
HYO-UNK-1dbfcf16-1
0.265
MAK-UNK-7c9d1431-17
0.265
MAK-UNK-df1a028e-8
0.265
SAD-SAT-29425be4-17
0.264
MAK-UNK-3f402c2b-3
0.264
MAK-UNK-10799360-10
0.262
MAK-UNK-df1a028e-7
0.261
MAR-TRE-3e4e6814-50
0.261
PEI-IMP-ca0b2813-3
0.261
MAR-TRE-6a44bbf2-99
0.261
MAK-UNK-5d2caa6f-23
0.259
LON-WEI-120e5cf5-10
0.259
PEI-IMP-e4a008a2-1
0.259
MAK-UNK-10799360-36
0.258
MAK-UNK-10799360-2
0.258
MAK-UNK-ec98eaf6-1
0.258
MAK-UNK-5d2caa6f-11
0.257
MAK-UNK-3f402c2b-5
0.256
SAD-SAT-65574d3f-10
0.256
SAD-SAT-5b1897b2-5
0.256
MAK-UNK-df1a028e-4
0.256
LON-WEI-120e5cf5-19
0.256
DRR-IMP-38dce17f-8
0.256
MAK-UNK-3e0761f8-4
0.255
MAK-UNK-10799360-22
0.255
MAR-TRE-6a44bbf2-86
0.253
LON-WEI-120e5cf5-15
0.253
SAD-SAT-3a925b8b-8
0.253
DAN-LON-a5fc619e-8
0.253
MAK-UNK-ec98eaf6-9
0.253