Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 |
MW: | 352.06 |
Fraction sp3: | 0.31 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 57.69 |
cLogP: | 1.91 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Enamine BB: | EN300-05243 |
Enamine SCR: | Z56896883 |
Enamine REAL: | Z56896883 |
Mcule: | MCULE-1893999795 |
Hetero_hetero
MAK-UNK-7c9d1431-9
DRR-IMP-dff87f5e-2
1.000
MAR-TRE-6a44bbf2-21
0.583
MAK-UNK-7c9d1431-9
0.583
JAY-UNK-11f5bdbd-1
0.581
AAR-POS-d2a4d1df-23
0.571
BEN-DND-03406596-10
0.571
MAR-TRE-6a44bbf2-18
0.571
LON-WEI-8f408cad-4
0.571
MAR-TRE-6a44bbf2-26
0.562
MAK-UNK-7c9d1431-8
0.562
MAR-TRE-6a44bbf2-32
0.554
MAK-UNK-7c9d1431-10
0.554
DRR-IMP-dff87f5e-8
0.554
ABB-MCD-f8003a30-1
0.554
MAK-UNK-7c9d1431-17
0.538
PEI-IMP-ca0b2813-3
0.536
TAT-ENA-80bfd3e5-25
0.536
MAK-UNK-7c9d1431-4
0.536
MAK-UNK-7c9d1431-11
0.529
MAK-UNK-7c9d1431-19
0.529
MAR-TRE-6a44bbf2-65
0.529
TAT-ENA-80bfd3e5-43
0.529
DRR-IMP-dff87f5e-3
0.524
AAR-POS-d2a4d1df-44
0.524
AAR-POS-d2a4d1df-27
0.516
DRR-IMP-dff87f5e-1
0.516
MAR-TRE-6a44bbf2-58
0.516
MAR-LAB-efb042c5-5
0.516
DRR-IMP-dff87f5e-7
0.516
MAR-TRE-6a44bbf2-68
0.516
SAD-SAT-3a925b8b-2
0.516
KAY-MCD-d0fe5261-1
0.516
MAK-UNK-c74072e5-8
0.515
IND-SYN-6c8299e8-2
0.514
MAR-TRE-6a44bbf2-78
0.508
MAK-UNK-7c9d1431-13
0.508
MAR-TRE-6a44bbf2-31
0.507
MAK-UNK-7c9d1431-7
0.507
MAR-TRE-6a44bbf2-49
0.507
MAK-UNK-7c9d1431-5
0.507
MAR-TRE-6a44bbf2-38
0.500
MAK-UNK-7c9d1431-1
0.500
SAD-SAT-bc31ec01-5
0.500
MAK-UNK-7c9d1431-22
0.493
PEI-IMP-ca0b2813-1
0.493
DRR-IMP-dff87f5e-6
0.493
DRR-IMP-dff87f5e-9
0.493
MAK-UNK-7c9d1431-6
0.493
MAT-POS-ee51dedd-2
0.492
PEI-IMP-ca0b2813-2
0.492
MAR-TRE-6a44bbf2-36
0.486
MAK-UNK-7c9d1431-2
0.486
DRR-IMP-db50bf6e-2
0.485
DRR-IMP-db50bf6e-4
0.479
MAK-UNK-c74072e5-9
0.475
MED-COV-4280ac29-5
0.475
BEN-DND-76ad4ac9-14
0.472
BEN-DND-03406596-3
0.472
SAD-SAT-bc31ec01-4
0.464
MAK-UNK-7c9d1431-12
0.463
DRR-IMP-dff87f5e-4
0.462
BAP-BUY-55f8bcae-1
0.458
MAR-TRE-6a44bbf2-8
0.449
AAR-POS-d2a4d1df-34
0.449
DRR-IMP-dff87f5e-5
0.449
LON-WEI-8f408cad-3
0.448
MAK-UNK-d4768348-1
0.448
DRR-IMP-db50bf6e-5
0.448
MAR-TRE-6a44bbf2-52
0.448
AAR-POS-d2a4d1df-22
0.448
MAR-TRE-6a44bbf2-45
0.446
MAK-UNK-7c9d1431-30
0.446
KEI-TRE-d5e2018a-73
0.446
MAR-TRE-6a44bbf2-4
0.441
LON-WEI-8f408cad-2
0.441
MAK-UNK-d4768348-5
0.441
AAR-POS-d2a4d1df-32
0.441
MAK-UNK-d4768348-7
0.435
DAN-MCD-50ec7d1f-1
0.435
AAR-POS-0daf6b7e-15
0.426
SAD-SAT-3a925b8b-9
0.426
MAK-UNK-d4768348-4
0.426
MAR-TRE-6a44bbf2-7
0.425
AAR-POS-d2a4d1df-37
0.425
BEN-DND-03406596-8
0.425
GIA-UNK-7337c2f3-15
0.423
MAK-UNK-d4768348-8
0.420
NIM-UNI-05f93fcc-1
0.420
MAR-TRE-6a44bbf2-28
0.420
MAK-UNK-7c9d1431-23
0.420
SAD-SAT-3a925b8b-3
0.420
AAR-POS-0daf6b7e-3
0.417
AAR-POS-d2a4d1df-36
0.417
SWA-SYN-6423ea73-2
0.417
WAR-XCH-79d12f6e-6
0.417
MAR-TRE-6a44bbf2-13
0.417
RHE-UNK-eb059eb9-1
0.417
SWA-SYN-d2e6fa14-2
0.417
SAD-SAT-9a6c5cf3-6
0.412
KAT-UNK-b2a0d5b1-1
0.411