Molecular Properties | |
SMILES: | O=C(Nc1ccccc1OCC1CN(Cc2ccccc2)CCO1)C1CCN(C(=O)CCl)CC1 |
MW: | 486.012 |
Fraction sp3: | 0.46 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 71.11 |
cLogP: | 3.3823 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-3
MED-COV-4280ac29-17
0.561
MAK-UNK-a7992eb3-5
0.477
MAK-UNK-a7992eb3-9
0.476
MAK-UNK-a7992eb3-8
0.460
MAK-UNK-a7992eb3-7
0.459
MAK-UNK-a7992eb3-1
0.445
AAR-POS-0daf6b7e-6
0.444
MAR-TRE-6a44bbf2-15
0.444
MAK-UNK-a7992eb3-23
0.438
MAK-UNK-a7992eb3-19
0.435
LON-WEI-120e5cf5-16
0.435
MAK-UNK-3d7e3904-2
0.427
MAK-UNK-3d7e3904-3
0.427
MAK-UNK-a7992eb3-6
0.426
MAK-UNK-a7992eb3-22
0.423
MAR-TRE-6a44bbf2-86
0.411
LON-WEI-120e5cf5-15
0.411
AAR-POS-0daf6b7e-30
0.409
MAK-UNK-a7992eb3-24
0.402
MAK-UNK-a7992eb3-21
0.402
MAK-UNK-a7992eb3-18
0.395
MAK-UNK-a7992eb3-10
0.393
MAK-UNK-ec98eaf6-5
0.388
LON-WEI-120e5cf5-12
0.386
MAK-UNK-a7992eb3-3
0.384
MAK-UNK-a7992eb3-20
0.380
LON-WEI-120e5cf5-14
0.379
MAK-UNK-a7992eb3-4
0.377
MAK-UNK-c97f7c8f-1
0.375
LON-WEI-120e5cf5-7
0.367
MAK-UNK-69bf97dd-5
0.367
SAD-SAT-29425be4-29
0.361
LON-WEI-120e5cf5-21
0.360
LON-WEI-120e5cf5-17
0.356
AAR-POS-5507155c-2
0.356
LON-WEI-120e5cf5-1
0.356
AAR-POS-f650c5f2-4
0.356
LON-WEI-120e5cf5-10
0.354
MAK-UNK-c97f7c8f-2
0.354
MAK-UNK-7c9d1431-24
0.352
DRR-IMP-38dce17f-3
0.352
LON-WEI-120e5cf5-13
0.350
LON-WEI-120e5cf5-20
0.347
LON-WEI-120e5cf5-19
0.347
MAK-UNK-69bf97dd-4
0.345
LON-WEI-120e5cf5-11
0.343
LON-WEI-120e5cf5-3
0.340
YOI-UNK-15f562e8-1
0.333
LON-WEI-120e5cf5-18
0.330
SAD-SAT-29425be4-10
0.328
SAD-SAT-29425be4-23
0.327
SAD-SAT-29425be4-4
0.325
MAR-TRE-6a44bbf2-9
0.320
LON-WEI-120e5cf5-2
0.315
JAR-IMP-ed466bb3-12
0.311
MED-COV-4280ac29-8
0.311
LON-WEI-120e5cf5-4
0.311
LON-WEI-120e5cf5-9
0.310
SAD-SAT-29425be4-14
0.308
STE-KUL-2e0d2e88-7
0.308
MAK-UNK-750cfbcc-2
0.307
LON-WEI-120e5cf5-5
0.306
JAG-SYN-9c2cd0bd-8
0.303
LON-WEI-120e5cf5-6
0.303
YOI-UNK-a533afbc-6
0.302
YOI-UNK-12211982-6
0.302
SAD-SAT-29425be4-9
0.301
SAD-SAT-29425be4-8
0.299
MAK-UNK-69bf97dd-2
0.297
SAD-SAT-29425be4-28
0.296
GIA-UNK-595fac82-5
0.296
MAK-UNK-69bf97dd-6
0.296
MAK-UNK-3d7e3904-1
0.295
ASH-SAT-43770c7d-7
0.295
SAD-SAT-29425be4-3
0.294
MAK-UNK-69bf97dd-10
0.291
GIA-UNK-5ec6c2b8-3
0.290
JAG-SYN-9c2cd0bd-7
0.290
SIM-SYN-7db9eb24-1
0.288
SAD-SAT-29425be4-5
0.288
SAD-SAT-29425be4-26
0.288
MED-COV-4280ac29-25
0.287
SAD-SAT-29425be4-20
0.287
SAD-SAT-29425be4-15
0.287
DRA-CSI-47e38074-15
0.287
SAD-SAT-7d5528d9-7
0.287
MAK-UNK-69bf97dd-1
0.287
MAK-UNK-69bf97dd-3
0.287
AAR-POS-0daf6b7e-5
0.286
UNK-CYC-68f84b31-55
0.286
MAK-UNK-69bf97dd-8
0.286
SAD-SAT-29425be4-13
0.284
SAD-SAT-29425be4-6
0.284
SAD-SAT-29425be4-18
0.283
MAK-UNK-15efde89-1
0.283
MAK-UNK-69bf97dd-7
0.281
YOI-UNK-12211982-4
0.281
YOI-UNK-a533afbc-4
0.281
SAD-SAT-29425be4-25
0.280
MAK-UNK-987948f6-2
0.280