Molecular Properties | |
SMILES: | CC(C)Cc1ccc(C(NC(=O)C2CCN(C(=O)CCl)CC2)C(C)C)cc1 |
MW: | 392.22 |
Fraction sp3: | 0.64 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 49.41 |
cLogP: | 4.18 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
SAD-SAT-29425be4-12
0.718
SAD-SAT-29425be4-28
0.513
SAD-SAT-29425be4-15
0.463
MAK-UNK-750cfbcc-2
0.431
SAD-SAT-29425be4-19
0.422
LON-WEI-120e5cf5-10
0.421
LON-WEI-120e5cf5-15
0.419
MAR-TRE-6a44bbf2-86
0.419
MAK-UNK-c97f7c8f-2
0.418
LON-WEI-120e5cf5-20
0.413
SAD-SAT-29425be4-25
0.402
LON-WEI-120e5cf5-13
0.395
LON-WEI-120e5cf5-4
0.393
MAK-UNK-c97f7c8f-1
0.392
LON-WEI-120e5cf5-19
0.390
LON-WEI-120e5cf5-11
0.388
AAR-POS-5507155c-2
0.386
LON-WEI-120e5cf5-17
0.386
LON-WEI-120e5cf5-1
0.386
AAR-POS-f650c5f2-4
0.386
MAR-TRE-6a44bbf2-15
0.385
AAR-POS-0daf6b7e-6
0.385
YOI-UNK-15f562e8-1
0.383
LON-WEI-120e5cf5-3
0.383
VIR-GIT-7b3d3065-3
0.380
AAR-POS-0daf6b7e-19
0.380
MAK-UNK-69bf97dd-9
0.375
LON-WEI-120e5cf5-16
0.375
SAD-SAT-29425be4-14
0.373
LON-WEI-120e5cf5-21
0.373
SAD-SAT-29425be4-6
0.372
VIK-SYN-9a3d118a-3
0.371
SAD-SAT-29425be4-3
0.368
VIK-SYN-9a3d118a-5
0.365
SAD-SAT-29425be4-23
0.364
SAD-SAT-29425be4-20
0.360
SAD-SAT-29425be4-29
0.359
MAK-UNK-69bf97dd-8
0.356
MAK-UNK-3d7e3904-3
0.353
MAK-UNK-3d7e3904-2
0.353
YOI-UNK-12211982-6
0.349
YOI-UNK-a533afbc-6
0.349
MAK-UNK-750cfbcc-1
0.348
MAK-UNK-69bf97dd-7
0.348
SAD-SAT-29425be4-9
0.344
MAK-UNK-6ca90168-11
0.342
LON-WEI-120e5cf5-5
0.342
LON-WEI-120e5cf5-12
0.341
MAK-UNK-69bf97dd-1
0.340
MAK-UNK-69bf97dd-4
0.340
LON-WEI-120e5cf5-9
0.340
MAK-UNK-69bf97dd-6
0.337
MAK-UNK-69bf97dd-5
0.337
MAK-UNK-a7992eb3-3
0.336
LON-WEI-120e5cf5-14
0.333
LON-WEI-120e5cf5-2
0.333
WAR-XCH-79d12f6e-4
0.333
MAK-UNK-a7992eb3-7
0.330
MAK-UNK-a7992eb3-6
0.327
MAK-UNK-69bf97dd-3
0.326
SAD-SAT-89668ff1-3
0.326
SAD-SAT-29425be4-11
0.326
MAK-UNK-3d7e3904-1
0.326
MAK-UNK-750cfbcc-3
0.324
MAR-TRE-6a44bbf2-79
0.324
MAK-UNK-69bf97dd-2
0.323
SAD-SAT-d8079f6f-4
0.323
LON-WEI-120e5cf5-7
0.323
LON-WEI-120e5cf5-18
0.323
BEN-DND-76ad4ac9-4
0.321
MAR-TRE-6a44bbf2-66
0.321
MAK-UNK-750cfbcc-4
0.321
ASH-SAT-43770c7d-7
0.320
MAK-UNK-a7992eb3-8
0.319
SAD-SAT-9a6c5cf3-7
0.319
MAK-UNK-af83ef51-6
0.317
LON-WEI-120e5cf5-6
0.317
YOI-UNK-15f562e8-2
0.316
MAK-UNK-69bf97dd-10
0.316
SAD-SAT-29425be4-4
0.316
MAK-UNK-704ed37c-4
0.316
SAD-SAT-29425be4-16
0.316
SAD-SAT-29425be4-5
0.315
MAK-UNK-750cfbcc-5
0.315
AAR-POS-0daf6b7e-9
0.315
VIR-GIT-7b3d3065-2
0.315
SAD-SAT-1f400d17-4
0.312
YOI-UNK-15f562e8-5
0.312
MED-COV-4280ac29-17
0.310
SAD-SAT-29425be4-30
0.309
GIA-UNK-a79af1bc-1
0.309
SAD-SAT-29425be4-10
0.308
SAD-SAT-29425be4-7
0.305
SAD-SAT-f2e2579e-10
0.304
MAK-UNK-704ed37c-1
0.303
SAD-SAT-29425be4-27
0.302
NIR-THE-0d6461ce-8
0.301
YOI-UNK-a533afbc-1
0.300
YOI-UNK-12211982-1
0.300
SAD-SAT-29425be4-8
0.300