Molecular Properties | |
SMILES: | CCCCc1ccc(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: | 8 |
TPSA: | 49.41 |
cLogP: | 4.32 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
SAD-SAT-29425be4-13
0.718
SAD-SAT-29425be4-15
0.551
SAD-SAT-29425be4-28
0.452
MAK-UNK-c97f7c8f-2
0.415
MAK-UNK-750cfbcc-2
0.406
LON-WEI-120e5cf5-10
0.400
MAR-TRE-6a44bbf2-86
0.397
LON-WEI-120e5cf5-15
0.397
LON-WEI-120e5cf5-20
0.392
SAD-SAT-29425be4-19
0.386
SAD-SAT-29425be4-25
0.385
LON-WEI-120e5cf5-1
0.384
AAR-POS-f650c5f2-4
0.384
LON-WEI-120e5cf5-17
0.384
AAR-POS-5507155c-2
0.384
LON-WEI-120e5cf5-13
0.376
MAK-UNK-69bf97dd-9
0.374
MAK-UNK-c97f7c8f-1
0.373
LON-WEI-120e5cf5-21
0.372
LON-WEI-120e5cf5-19
0.372
SAD-SAT-29425be4-14
0.372
SAD-SAT-29425be4-6
0.371
LON-WEI-120e5cf5-11
0.369
AAR-POS-0daf6b7e-6
0.366
MAR-TRE-6a44bbf2-15
0.366
LON-WEI-120e5cf5-3
0.365
VIR-GIT-7b3d3065-3
0.360
AAR-POS-0daf6b7e-19
0.360
SAD-SAT-29425be4-20
0.360
LON-WEI-120e5cf5-16
0.357
YOI-UNK-15f562e8-1
0.354
SAD-SAT-29425be4-3
0.352
VIK-SYN-9a3d118a-3
0.351
YOI-UNK-a533afbc-6
0.348
YOI-UNK-12211982-6
0.348
VIK-SYN-9a3d118a-5
0.346
YOI-UNK-15f562e8-5
0.346
LON-WEI-120e5cf5-4
0.344
MAK-UNK-6ca90168-11
0.342
LON-WEI-120e5cf5-9
0.340
MAK-UNK-69bf97dd-1
0.340
MAK-UNK-3d7e3904-3
0.337
MAK-UNK-3d7e3904-2
0.337
LON-WEI-120e5cf5-14
0.333
SAD-SAT-29425be4-10
0.333
SAD-SAT-29425be4-23
0.333
MAK-UNK-69bf97dd-7
0.333
SAD-SAT-29425be4-29
0.330
SAD-SAT-29425be4-9
0.330
MAK-UNK-750cfbcc-1
0.329
MAK-UNK-69bf97dd-4
0.327
SAD-SAT-89668ff1-3
0.326
MAK-UNK-69bf97dd-8
0.326
LON-WEI-120e5cf5-12
0.326
LON-WEI-120e5cf5-5
0.325
MAK-UNK-69bf97dd-5
0.323
SAD-SAT-29425be4-30
0.323
ASH-SAT-43770c7d-7
0.321
LON-WEI-120e5cf5-2
0.320
SAD-SAT-9a6c5cf3-7
0.320
WAR-XCH-79d12f6e-4
0.318
SAD-SAT-29425be4-4
0.317
SAD-SAT-29425be4-27
0.316
MAK-UNK-a7992eb3-7
0.316
SAD-SAT-29425be4-5
0.316
MAK-UNK-a7992eb3-6
0.315
DUN-NEW-f8ce3686-25
0.315
MAK-UNK-69bf97dd-3
0.313
MAK-UNK-3d7e3904-1
0.311
MAR-TRE-6a44bbf2-9
0.310
LON-WEI-120e5cf5-7
0.310
MAK-UNK-69bf97dd-6
0.310
LON-WEI-120e5cf5-18
0.309
MAK-UNK-750cfbcc-3
0.307
MAR-TRE-6a44bbf2-79
0.307
MAK-UNK-a7992eb3-8
0.306
BEN-DND-76ad4ac9-4
0.306
MAK-UNK-af83ef51-2
0.306
MAR-TRE-6a44bbf2-66
0.305
MAK-UNK-704ed37c-9
0.305
MAK-UNK-750cfbcc-4
0.305
LON-WEI-120e5cf5-6
0.305
SAD-SAT-689b7d5a-6
0.304
SAD-SAT-d8079f6f-4
0.304
MAK-UNK-69bf97dd-10
0.304
SAD-SAT-29425be4-16
0.303
SAD-SAT-f2e2579e-5
0.301
YOI-UNK-12211982-1
0.301
YOI-UNK-a533afbc-1
0.301
MAK-UNK-704ed37c-4
0.300
MAK-UNK-704ed37c-5
0.300
SAD-SAT-29425be4-11
0.299
MAK-UNK-750cfbcc-5
0.299
VIR-GIT-7b3d3065-2
0.299
AAR-POS-0daf6b7e-9
0.299
MED-COV-4280ac29-17
0.298
MAK-UNK-69bf97dd-2
0.298
SAD-SAT-f2e2579e-3
0.298
MAK-UNK-704ed37c-2
0.296
MAK-UNK-704ed37c-7
0.296