Molecular Properties | |
SMILES: | O=C(Nc1ccccc1OCC1(c2ccccn2)CCCC1)C1CCN(C(=O)CCl)CC1 |
MW: | 455.986 |
Fraction sp3: | 0.48 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 71.53 |
cLogP: | 4.3883 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-3
MAK-UNK-a7992eb3-8
0.580
LON-WEI-120e5cf5-16
0.506
MAK-UNK-a7992eb3-7
0.495
MAR-TRE-6a44bbf2-15
0.482
AAR-POS-0daf6b7e-6
0.482
MAK-UNK-a7992eb3-2
0.476
MAK-UNK-3d7e3904-2
0.461
MAK-UNK-3d7e3904-3
0.461
MED-COV-4280ac29-17
0.460
MAK-UNK-a7992eb3-5
0.439
MAK-UNK-a7992eb3-4
0.425
LON-WEI-120e5cf5-14
0.421
MAK-UNK-a7992eb3-1
0.421
LON-WEI-120e5cf5-21
0.418
LON-WEI-120e5cf5-15
0.412
MAR-TRE-6a44bbf2-86
0.412
LON-WEI-120e5cf5-13
0.407
MAK-UNK-c97f7c8f-1
0.404
MAK-UNK-a7992eb3-6
0.402
LON-WEI-120e5cf5-11
0.400
LON-WEI-120e5cf5-17
0.398
AAR-POS-5507155c-2
0.398
LON-WEI-120e5cf5-1
0.398
AAR-POS-f650c5f2-4
0.398
MAK-UNK-c97f7c8f-2
0.396
MAK-UNK-1bb0b7ee-5
0.387
MAK-UNK-1bb0b7ee-1
0.381
LON-WEI-120e5cf5-18
0.380
MAK-UNK-69bf97dd-5
0.379
LON-WEI-120e5cf5-20
0.375
MAK-UNK-3d7e3904-1
0.372
LON-WEI-120e5cf5-19
0.372
MAK-UNK-a7992eb3-3
0.372
LON-WEI-120e5cf5-12
0.371
LON-WEI-120e5cf5-6
0.370
MAK-UNK-69bf97dd-4
0.369
LON-WEI-120e5cf5-10
0.367
LON-WEI-120e5cf5-3
0.366
LON-WEI-120e5cf5-2
0.363
LON-WEI-120e5cf5-4
0.361
MAK-UNK-1bb0b7ee-2
0.360
LON-WEI-120e5cf5-7
0.352
SAD-SAT-29425be4-10
0.348
LON-WEI-120e5cf5-9
0.343
MAK-UNK-1bb0b7ee-4
0.340
SAD-SAT-29425be4-23
0.337
MAK-UNK-a7992eb3-17
0.337
MAK-UNK-750cfbcc-2
0.333
MAK-UNK-69bf97dd-10
0.333
MAK-UNK-69bf97dd-8
0.330
MAK-UNK-750cfbcc-3
0.329
MAR-TRE-6a44bbf2-79
0.329
MAK-UNK-1bb0b7ee-3
0.324
MAK-UNK-69bf97dd-7
0.324
VIR-GIT-7b3d3065-2
0.321
AAR-POS-0daf6b7e-9
0.321
MAK-UNK-750cfbcc-5
0.321
AAR-POS-0daf6b7e-22
0.321
SAD-SAT-29425be4-29
0.321
SAD-SAT-29425be4-20
0.320
MAK-UNK-a7992eb3-30
0.319
SAD-SAT-29425be4-26
0.318
YOI-UNK-15f562e8-1
0.318
SAD-SAT-5b1897b2-3
0.318
SAD-SAT-29425be4-19
0.317
SAD-SAT-29425be4-28
0.317
DRR-IMP-38dce17f-5
0.315
ASH-SAT-43770c7d-7
0.313
MAK-UNK-a7992eb3-24
0.312
JAG-SYN-9c2cd0bd-8
0.312
SAD-SAT-29425be4-4
0.309
SAD-SAT-29425be4-5
0.308
MAK-UNK-69bf97dd-1
0.306
MAK-UNK-ec98eaf6-5
0.305
SAD-SAT-29425be4-6
0.304
SAD-SAT-29425be4-14
0.303
MAK-UNK-69bf97dd-6
0.303
LON-WEI-120e5cf5-5
0.301
SAD-SAT-29425be4-3
0.301
SAD-SAT-9a6c5cf3-10
0.298
BEN-DND-76ad4ac9-4
0.298
SAD-SAT-29425be4-25
0.297
MAK-UNK-5d2caa6f-21
0.297
YOI-UNK-a533afbc-6
0.297
YOI-UNK-12211982-6
0.297
MAK-UNK-750cfbcc-4
0.297
MAR-TRE-6a44bbf2-66
0.297
JAR-IMP-ed466bb3-12
0.297
SAD-SAT-29425be4-9
0.296
MAK-UNK-7c9d1431-25
0.296
MAR-TRE-6a44bbf2-53
0.296
MAK-UNK-69bf97dd-9
0.295
SAD-SAT-29425be4-15
0.294
AAR-POS-0daf6b7e-5
0.293
SAD-SAT-89668ff1-3
0.292
MAK-UNK-69bf97dd-2
0.292
SAD-SAT-29425be4-13
0.291
SAD-SAT-f2e2579e-6
0.290
MAR-TRE-6a44bbf2-9
0.289
SAD-SAT-9a6c5cf3-5
0.288