Molecular Properties | |
SMILES: | O=C(Nc1ccccc1OC1CCN(Cc2ccccc2)CC1)C1CC2CC1CN2C(=O)CCl |
MW: | 481.21 |
Fraction sp3: | 0.48 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 61.88 |
cLogP: | 4.14 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
MED-COV-4280ac29-17
0.652
MAK-UNK-3f402c2b-19
0.523
MAK-UNK-a7992eb3-1
0.519
MAK-UNK-5d2caa6f-21
0.505
MAK-UNK-5d2caa6f-20
0.483
MAK-UNK-5d2caa6f-13
0.455
MAK-UNK-90d0606b-2
0.438
MAK-UNK-5d2caa6f-15
0.427
MAK-UNK-3e0761f8-1
0.421
MAK-UNK-5d2caa6f-14
0.421
MAK-UNK-5d2caa6f-16
0.415
MAK-UNK-5d2caa6f-22
0.413
MAK-UNK-5d2caa6f-1
0.412
MAK-UNK-3e0761f8-3
0.411
MAK-UNK-3e0761f8-5
0.410
MAK-UNK-90d0606b-8
0.410
MAK-UNK-90d0606b-9
0.410
MAK-UNK-90d0606b-10
0.406
MAK-UNK-5d2caa6f-17
0.404
GIA-UNK-595fac82-5
0.400
MAK-UNK-a7992eb3-7
0.392
MAK-UNK-a7992eb3-5
0.391
MAK-UNK-3e0761f8-8
0.389
MAK-UNK-5d2caa6f-19
0.389
MAK-UNK-a7992eb3-2
0.388
MAK-UNK-5d2caa6f-18
0.373
MAK-UNK-7c9d1431-24
0.356
DRR-IMP-38dce17f-3
0.356
MAK-UNK-3f402c2b-18
0.351
MAK-UNK-10799360-24
0.325
GIA-UNK-5ec6c2b8-3
0.322
MAK-UNK-ec98eaf6-32
0.320
MAK-UNK-3f402c2b-28
0.316
MAK-UNK-3f402c2b-20
0.312
MAK-UNK-ec98eaf6-48
0.309
DAN-LON-a5fc619e-5
0.308
MAK-UNK-ec98eaf6-11
0.306
MAK-UNK-a7992eb3-9
0.305
MAK-UNK-ec98eaf6-2
0.304
MAK-UNK-df1a028e-5
0.298
MAK-UNK-a7992eb3-8
0.295
MAK-UNK-a7992eb3-6
0.294
MAT-POS-b5746674-105
0.292
MAK-UNK-ec98eaf6-43
0.291
DAN-LON-a5fc619e-10
0.290
MED-COV-4280ac29-8
0.290
MAR-TRE-6a44bbf2-28
0.289
MAK-UNK-7c9d1431-23
0.289
MAK-UNK-10dfa458-45
0.288
MAK-UNK-10799360-25
0.287
MAK-UNK-176ca439-4
0.287
MAK-UNK-3c359d2a-1
0.287
MED-COV-4280ac29-1
0.287
MAK-UNK-df1a028e-4
0.286
MAK-UNK-10799360-2
0.286
STE-KUL-2e0d2e88-7
0.286
MAK-UNK-90d0606b-6
0.284
MAK-UNK-5d2caa6f-11
0.283
MAK-UNK-3d7e3904-2
0.283
MED-COV-4280ac29-13
0.282
MAK-UNK-10799360-9
0.281
MAK-UNK-ec98eaf6-36
0.281
SAD-SAT-1f400d17-1
0.280
DRA-CSI-0a78d9ba-1
0.278
MED-COV-4280ac29-25
0.278
DRA-CSI-47e38074-15
0.278
MAR-TRE-6a44bbf2-15
0.277
AAR-POS-0daf6b7e-6
0.277
MAK-UNK-ec98eaf6-38
0.276
SAD-SAT-c989feaa-4
0.276
MAK-UNK-a7992eb3-10
0.276
MAK-UNK-ec98eaf6-7
0.276
MAK-UNK-10799360-32
0.276
MAK-UNK-a7992eb3-3
0.274
MAR-TRE-66ac689e-83
0.274
DRA-CSI-47e38074-1
0.273
LON-WEI-120e5cf5-16
0.272
DAN-LON-a5fc619e-8
0.272
MAR-TRE-66ac689e-43
0.271
MAK-UNK-849bee6c-9
0.270
MAK-UNK-a7992eb3-12
0.270
MAK-UNK-10799360-34
0.270
MAK-UNK-3f402c2b-3
0.269
BEN-DND-76ad4ac9-9
0.269
SEL-UNI-cd366922-6
0.269
BEN-DND-03406596-1
0.269
MAK-UNK-10799360-7
0.269
MED-COV-4280ac29-19
0.268
MAK-UNK-df1a028e-9
0.267
MAK-UNK-ec98eaf6-58
0.267
MAR-TRE-66ac689e-7
0.266
MAR-TRE-66ac689e-34
0.266
MAK-UNK-90d0606b-1
0.265
JOH-UNI-0e1753c1-3
0.265
MED-COV-4280ac29-15
0.265
AAR-POS-d2a4d1df-35
0.265
HYO-UNK-49a60884-1
0.265
MAK-UNK-a7992eb3-4
0.265
JOK-SYG-18591e8f-1
0.265
NAU-LAT-f723e322-5
0.263