Molecular Properties | |
SMILES: | CC(C)N(Cc1ccc(-c2ccccc2)s1)C(=O)C1CCN(C(=O)CCl)CC1 |
MW: | 418.15 |
Fraction sp3: | 0.45 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 40.62 |
cLogP: | 4.63 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
SAD-SAT-29425be4-1
0.523
YOI-UNK-a533afbc-6
0.464
YOI-UNK-12211982-6
0.464
LON-WEI-120e5cf5-5
0.449
AAR-POS-0daf6b7e-19
0.438
VIR-GIT-7b3d3065-3
0.438
NIM-UNI-05f93fcc-2
0.424
MAK-UNK-8fdbca50-26
0.378
SAD-SAT-29425be4-7
0.371
MAR-TRE-6a44bbf2-86
0.366
LON-WEI-120e5cf5-15
0.366
YOI-UNK-a533afbc-2
0.364
YOI-UNK-12211982-2
0.364
MAK-UNK-6ca90168-11
0.362
SAD-SAT-29425be4-5
0.362
SAD-SAT-29425be4-14
0.360
SAD-SAT-29425be4-22
0.354
YOI-UNK-15f562e8-5
0.350
SAD-SAT-29425be4-27
0.347
SAD-SAT-29425be4-4
0.347
MAK-UNK-8fdbca50-24
0.345
MAK-UNK-8fdbca50-16
0.341
BEN-DND-76ad4ac9-4
0.341
MAK-UNK-8fdbca50-9
0.339
AAR-POS-0daf6b7e-5
0.337
MAK-UNK-8fdbca50-23
0.336
NIM-UNI-05f93fcc-11
0.333
MAK-UNK-8fdbca50-8
0.331
YOI-UNK-15f562e8-1
0.330
SAD-SAT-29425be4-8
0.330
SAD-SAT-29425be4-11
0.330
GIA-UNK-7337c2f3-10
0.330
SAD-SAT-9a6c5cf3-3
0.327
MAK-UNK-8fdbca50-7
0.325
SAD-SAT-29425be4-18
0.324
SAD-SAT-29425be4-23
0.323
SAD-SAT-9a6c5cf3-10
0.323
AAR-POS-0daf6b7e-6
0.322
MAR-TRE-6a44bbf2-15
0.322
MAK-UNK-8fdbca50-22
0.320
DUN-NEW-f8ce3686-25
0.319
NIM-UNI-05f93fcc-7
0.319
MAK-UNK-8fdbca50-10
0.317
MAK-UNK-8fdbca50-2
0.317
MAK-UNK-69bf97dd-3
0.317
LON-WEI-120e5cf5-9
0.317
SAD-SAT-f2e2579e-3
0.316
MAK-UNK-750cfbcc-2
0.316
SAD-SAT-29425be4-6
0.316
SAD-SAT-29425be4-13
0.316
LON-WEI-120e5cf5-12
0.316
LON-WEI-120e5cf5-21
0.315
GIA-UNK-20b63697-8
0.315
LON-WEI-120e5cf5-19
0.315
MAK-UNK-750cfbcc-1
0.315
MAK-UNK-8fdbca50-6
0.315
MAK-UNK-8fdbca50-11
0.315
LON-WEI-120e5cf5-16
0.315
MAK-UNK-c97f7c8f-1
0.315
MAK-UNK-8fdbca50-21
0.315
MAK-UNK-8fdbca50-25
0.315
MAK-UNK-c74072e5-1
0.314
LON-WEI-120e5cf5-20
0.314
SAD-SAT-29425be4-30
0.314
MAK-UNK-8fdbca50-14
0.312
MAK-UNK-3d7e3904-3
0.312
AAR-POS-5507155c-2
0.312
LON-WEI-120e5cf5-1
0.312
AAR-POS-f650c5f2-4
0.312
LON-WEI-120e5cf5-17
0.312
MAK-UNK-750cfbcc-3
0.312
MAR-TRE-6a44bbf2-79
0.312
SAD-SAT-9a6c5cf3-8
0.310
MAK-UNK-af83ef51-2
0.310
GIA-UNK-7337c2f3-14
0.309
LON-WEI-120e5cf5-14
0.309
MAK-UNK-8fdbca50-17
0.309
MAK-UNK-8fdbca50-18
0.309
SIM-SYN-f15aaa3a-1
0.309
NIM-UNI-05f93fcc-3
0.309
MAK-UNK-c97f7c8f-2
0.308
MAK-UNK-7c9d1431-25
0.308
MAR-TRE-6a44bbf2-53
0.308
MAK-UNK-8fdbca50-13
0.307
SAD-SAT-29425be4-29
0.307
LON-WEI-120e5cf5-10
0.307
MAK-UNK-8fdbca50-27
0.306
MAK-UNK-8fdbca50-28
0.306
SAD-SAT-29425be4-20
0.305
SAD-SAT-29425be4-15
0.305
MAK-UNK-704ed37c-3
0.305
MAK-UNK-8fdbca50-1
0.305
MAK-UNK-8fdbca50-5
0.305
SAD-SAT-29425be4-21
0.304
GIA-UNK-20b63697-2
0.304
GIA-UNK-20b63697-5
0.304
SAD-SAT-f2e2579e-9
0.304
WAR-XCH-bdd24732-27
0.304
AAR-POS-0daf6b7e-9
0.304
VIR-GIT-7b3d3065-2
0.304