Molecular Properties | |
SMILES: | CC(C)(C)c1cccc(C(NC(=O)C2CCN(C(=O)CCl)CC2)c2ccc(Cl)cc2)c1 |
MW: | 460.17 |
Fraction sp3: | 0.44 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 49.41 |
cLogP: | 5.32 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
LON-WEI-120e5cf5-20
0.427
SAD-SAT-29425be4-20
0.422
LON-WEI-120e5cf5-19
0.420
SAD-SAT-29425be4-14
0.404
SAD-SAT-29425be4-28
0.402
SAD-SAT-29425be4-13
0.402
SAD-SAT-29425be4-12
0.385
MAR-TRE-6a44bbf2-86
0.381
LON-WEI-120e5cf5-15
0.381
SAD-SAT-29425be4-23
0.379
SAD-SAT-29425be4-15
0.376
LON-WEI-120e5cf5-16
0.375
SAD-SAT-29425be4-6
0.372
YOI-UNK-15f562e8-1
0.369
MAK-UNK-750cfbcc-2
0.368
AAR-POS-0daf6b7e-6
0.368
MAR-TRE-6a44bbf2-15
0.368
LON-WEI-120e5cf5-13
0.363
SAD-SAT-29425be4-9
0.360
LON-WEI-120e5cf5-21
0.359
SAD-SAT-29425be4-19
0.358
LON-WEI-120e5cf5-11
0.356
MAK-UNK-3d7e3904-3
0.355
SAD-SAT-29425be4-3
0.354
GIA-UNK-7337c2f3-1
0.352
LON-WEI-120e5cf5-10
0.352
MED-COV-4280ac29-18
0.352
LON-WEI-120e5cf5-14
0.351
SAD-SAT-29425be4-7
0.345
MAK-UNK-c97f7c8f-1
0.344
LON-WEI-120e5cf5-12
0.344
MAK-UNK-3d7e3904-2
0.340
LON-WEI-120e5cf5-3
0.337
MAK-UNK-c97f7c8f-2
0.337
YOI-UNK-a533afbc-6
0.337
MIH-UNI-e573136b-7
0.337
YOI-UNK-12211982-6
0.337
SAD-SAT-9a6c5cf3-10
0.337
LON-WEI-120e5cf5-2
0.337
NIR-THE-0d6461ce-1
0.333
SAD-SAT-29425be4-4
0.333
SAD-SAT-29425be4-8
0.330
MAK-UNK-69bf97dd-1
0.330
MAK-UNK-69bf97dd-4
0.330
MAK-UNK-69bf97dd-8
0.330
LON-WEI-120e5cf5-5
0.330
LON-WEI-120e5cf5-7
0.327
MAK-UNK-69bf97dd-5
0.327
LON-WEI-120e5cf5-17
0.326
AAR-POS-f650c5f2-4
0.326
LON-WEI-120e5cf5-1
0.326
AAR-POS-5507155c-2
0.326
BEN-DND-76ad4ac9-4
0.326
SAD-SAT-9a6c5cf3-7
0.324
MAK-UNK-69bf97dd-7
0.324
LON-WEI-120e5cf5-6
0.321
MAK-UNK-a7992eb3-7
0.320
SAD-SAT-29425be4-26
0.318
LON-WEI-120e5cf5-9
0.317
MAK-UNK-69bf97dd-3
0.317
MAK-UNK-69bf97dd-6
0.314
MAK-UNK-6ca90168-11
0.314
SAD-SAT-f2e2579e-6
0.314
LON-WEI-120e5cf5-18
0.314
MAK-UNK-a7992eb3-8
0.311
MAK-UNK-750cfbcc-4
0.310
MAR-TRE-6a44bbf2-66
0.310
GIA-UNK-7337c2f3-13
0.309
MAK-UNK-af83ef51-6
0.308
SAD-SAT-29425be4-29
0.308
MAK-UNK-69bf97dd-9
0.307
MED-COV-4280ac29-6
0.307
SAD-SAT-f2e2579e-5
0.306
LON-WEI-120e5cf5-4
0.306
VIK-SYN-9a3d118a-3
0.305
NIR-THE-0d6461ce-9
0.304
SAD-SAT-9a6c5cf3-4
0.304
SAD-SAT-f2e2579e-3
0.303
MED-COV-4280ac29-17
0.303
DRR-IMP-dff87f5e-4
0.302
SAD-SAT-65574d3f-9
0.302
MED-COV-4280ac29-7
0.302
SAD-SAT-29425be4-1
0.302
SAD-SAT-29425be4-22
0.302
GIA-UNK-4de5abb1-1
0.301
ASH-SAT-43770c7d-7
0.301
MAK-UNK-750cfbcc-1
0.299
MAK-UNK-a7992eb3-1
0.298
SAD-SAT-f2e2579e-4
0.298
DRR-IMP-db50bf6e-3
0.298
VIR-GIT-7b3d3065-3
0.298
AAR-POS-0daf6b7e-19
0.298
MAK-UNK-a7992eb3-9
0.297
NIL-NON-a189c016-1
0.297
MAT-POS-162a9720-2
0.297
MAK-UNK-a7992eb3-6
0.297
MAK-UNK-750cfbcc-3
0.296
MAR-TRE-6a44bbf2-79
0.296
SAD-SAT-29425be4-16
0.295
SAD-SAT-29425be4-5
0.294