Molecular Properties | |
SMILES: | C=CC(=O)NCCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 |
MW: | 391.16 |
Fraction sp3: | 0.47 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 86.79 |
cLogP: | 0.7 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Enamine BB: | EN300-26600488 |
Enamine SCR: | Z1478950882 |
Enamine REAL: | Z1478950882 |
Mcule: | MCULE-7617542650 |
Long aliphatic chain
Hetero_hetero
AAR-POS-d2a4d1df-2
MAR-TRE-6a44bbf2-49
0.649
MAK-UNK-7c9d1431-7
0.649
MAK-UNK-7c9d1431-5
0.605
MAR-TRE-6a44bbf2-31
0.605
SAD-SAT-9a6c5cf3-6
0.534
SAD-SAT-b55127ae-8
0.391
MAR-TRE-6a44bbf2-22
0.363
MAK-UNK-7c9d1431-26
0.363
JAY-UNK-11f5bdbd-1
0.361
MAK-UNK-7c9d1431-8
0.353
MAR-TRE-6a44bbf2-26
0.353
MAR-TRE-6a44bbf2-32
0.349
ABB-MCD-f8003a30-1
0.349
ZAC-MCD-2bc172dc-1
0.349
MAK-UNK-7c9d1431-10
0.349
BEN-DND-03406596-10
0.341
LON-WEI-8f408cad-4
0.341
MAR-TRE-6a44bbf2-18
0.341
AAR-POS-d2a4d1df-23
0.341
MAK-UNK-7c9d1431-19
0.337
MAK-UNK-7c9d1431-11
0.337
TAT-ENA-80bfd3e5-43
0.337
MAR-TRE-6a44bbf2-65
0.337
MAR-TRE-6a44bbf2-68
0.333
DRR-IMP-dff87f5e-8
0.333
AAR-POS-d2a4d1df-27
0.333
AHN-SAT-de2502ba-11
0.333
MAR-LAB-efb042c5-5
0.333
MAR-TRE-6a44bbf2-36
0.330
MAK-UNK-7c9d1431-2
0.330
MAK-UNK-7c9d1431-3
0.330
MAK-UNK-7c9d1431-4
0.330
IND-SYN-6c8299e8-2
0.330
TAT-ENA-80bfd3e5-25
0.330
DRR-IMP-dff87f5e-2
0.330
MAR-TRE-6a44bbf2-78
0.329
MAK-UNK-7c9d1431-13
0.329
SAD-SAT-2ceae68f-1
0.327
BEN-DND-03ad4429-3
0.326
MAK-UNK-10dfa458-5
0.326
DAN-MCD-50ec7d1f-1
0.326
MAK-UNK-7c9d1431-1
0.323
MAR-TRE-6a44bbf2-38
0.323
KEN-MCD-6084b33e-1
0.322
MAK-UNK-7c9d1431-6
0.322
AAR-POS-d2a4d1df-44
0.321
DRR-IMP-dff87f5e-3
0.321
SAD-SAT-bc31ec01-5
0.321
SAD-SAT-1f400d17-3
0.320
SAD-SAT-2ceae68f-10
0.320
DRR-IMP-dff87f5e-1
0.318
DRR-IMP-dff87f5e-7
0.318
SAD-SAT-3a925b8b-2
0.318
PEI-IMP-ca0b2813-2
0.318
MAR-TRE-6a44bbf2-58
0.318
KAY-MCD-d0fe5261-1
0.318
MAK-UNK-c74072e5-9
0.317
PEI-IMP-ca0b2813-3
0.315
BEN-DND-76ad4ac9-14
0.315
BEN-DND-03406596-3
0.315
AHN-SAT-de2502ba-19
0.315
MAR-TRE-6a44bbf2-21
0.310
MAK-UNK-7c9d1431-9
0.310
DRR-IMP-dff87f5e-6
0.307
DRR-IMP-dff87f5e-9
0.307
MAK-UNK-7c9d1431-17
0.307
PEI-IMP-ca0b2813-1
0.307
MAK-UNK-c74072e5-8
0.307
SAD-SAT-1f400d17-2
0.306
AHN-SAT-de2502ba-10
0.304
MAR-TRE-04c86cea-38
0.304
MAT-POS-ee51dedd-2
0.302
SAD-SAT-2ceae68f-3
0.299
SAD-SAT-b55127ae-5
0.299
PEI-IMP-3d837503-2
0.298
MAK-UNK-7c9d1431-22
0.297
AHN-SAT-de2502ba-17
0.293
AHN-SAT-de2502ba-18
0.293
BEN-DND-03406596-8
0.293
MED-COV-4280ac29-5
0.291
MAK-UNK-10dfa458-18
0.291
BAP-BUY-55f8bcae-1
0.290
SAD-SAT-bc31ec01-4
0.289
AHN-SAT-de2502ba-9
0.287
SAD-SAT-f2e2579e-7
0.287
NIM-UNI-05f93fcc-7
0.286
AAR-POS-0daf6b7e-3
0.286
IND-SYN-6c8299e8-7
0.286
RHE-UNK-eb059eb9-1
0.286
MAR-TRE-6a44bbf2-13
0.286
BEN-DND-03ad4429-4
0.286
WAR-XCH-79d12f6e-6
0.286
AAR-POS-d2a4d1df-36
0.286
MAR-TRE-6a44bbf2-45
0.284
MAK-UNK-7c9d1431-30
0.284
NIM-UNI-05f93fcc-1
0.284
MAR-TRE-6a44bbf2-43
0.283
AHN-SAT-de2502ba-6
0.283
MAK-UNK-7264f48c-2
0.282
SAD-SAT-9a6c5cf3-5
0.280