Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 |
MW: | 356.1 |
Fraction sp3: | 0.56 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 57.69 |
cLogP: | 1.64 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Enamine BB: | EN300-22620 |
Enamine SCR: | Z147647454 |
Enamine REAL: | Z235336651 |
Mcule: | MCULE-7818689982 |
MolPort: | MolPort-005-310-783 |
Hetero_hetero
MAR-TRE-6a44bbf2-31
1.000
MAR-TRE-6a44bbf2-49
0.895
MAK-UNK-7c9d1431-7
0.895
SAD-SAT-9a6c5cf3-6
0.681
SAD-SAT-2ceae68f-6
0.605
JAY-UNK-11f5bdbd-1
0.571
MAK-UNK-7c9d1431-8
0.554
MAR-TRE-6a44bbf2-26
0.554
MAK-UNK-7c9d1431-10
0.545
MAR-TRE-6a44bbf2-32
0.545
ABB-MCD-f8003a30-1
0.545
BEN-DND-03406596-10
0.538
MAR-TRE-6a44bbf2-18
0.538
LON-WEI-8f408cad-4
0.538
AAR-POS-d2a4d1df-23
0.538
AAR-POS-d2a4d1df-27
0.531
MAR-LAB-efb042c5-5
0.531
MAR-TRE-6a44bbf2-68
0.531
DRR-IMP-dff87f5e-8
0.522
MAK-UNK-7c9d1431-19
0.522
DRR-IMP-dff87f5e-3
0.516
AAR-POS-d2a4d1df-44
0.516
DRR-IMP-dff87f5e-7
0.508
DRR-IMP-dff87f5e-1
0.508
KAY-MCD-d0fe5261-1
0.508
MAR-TRE-6a44bbf2-58
0.508
IND-SYN-6c8299e8-2
0.507
MAK-UNK-7c9d1431-4
0.507
MAK-UNK-7c9d1431-3
0.507
DRR-IMP-dff87f5e-2
0.507
TAT-ENA-80bfd3e5-25
0.507
MAR-TRE-6a44bbf2-36
0.500
MAK-UNK-7c9d1431-13
0.500
MAK-UNK-7c9d1431-9
0.500
MAR-TRE-6a44bbf2-21
0.500
TAT-ENA-80bfd3e5-43
0.500
MAK-UNK-7c9d1431-11
0.500
MAR-TRE-6a44bbf2-78
0.500
MAK-UNK-7c9d1431-2
0.500
MAR-TRE-6a44bbf2-65
0.500
MAK-UNK-7c9d1431-1
0.493
MAR-TRE-6a44bbf2-38
0.493
SAD-SAT-bc31ec01-5
0.492
PEI-IMP-ca0b2813-3
0.486
DRR-IMP-dff87f5e-6
0.485
DRR-IMP-dff87f5e-9
0.485
MAK-UNK-7c9d1431-6
0.485
MAK-UNK-7c9d1431-17
0.485
MAK-UNK-c74072e5-8
0.485
SAD-SAT-3a925b8b-2
0.485
MAT-POS-ee51dedd-2
0.485
PEI-IMP-ca0b2813-2
0.485
BEN-DND-03406596-3
0.466
BEN-DND-76ad4ac9-14
0.466
MAK-UNK-7c9d1431-22
0.465
PEI-IMP-ca0b2813-1
0.464
SAD-SAT-bc31ec01-4
0.457
DRR-IMP-dff87f5e-4
0.455
BAP-BUY-55f8bcae-1
0.452
MAK-UNK-7c9d1431-26
0.447
MAR-TRE-6a44bbf2-22
0.447
AAR-POS-0daf6b7e-15
0.441
BEN-DND-03406596-8
0.438
NIM-UNI-05f93fcc-1
0.435
MAK-UNK-c74072e5-9
0.434
MED-COV-4280ac29-5
0.434
AAR-POS-0daf6b7e-3
0.431
WAR-XCH-79d12f6e-6
0.431
MAR-TRE-6a44bbf2-13
0.431
AAR-POS-d2a4d1df-36
0.431
RHE-UNK-eb059eb9-1
0.431
MAK-UNK-7c9d1431-30
0.421
MAR-TRE-6a44bbf2-45
0.421
DRR-IMP-db50bf6e-5
0.420
AAR-POS-d2a4d1df-22
0.420
SAD-SAT-3a925b8b-9
0.420
MAR-TRE-6a44bbf2-52
0.420
MAK-UNK-d4768348-1
0.420
MAK-UNK-d4768348-4
0.420
LON-WEI-8f408cad-3
0.420
NIM-UNI-05f93fcc-7
0.418
MAK-UNK-d4768348-8
0.414
MAK-UNK-d4768348-5
0.414
SAD-SAT-3a925b8b-3
0.414
MAK-UNK-7c9d1431-12
0.414
MAR-TRE-6a44bbf2-4
0.414
LON-WEI-8f408cad-2
0.414
AAR-POS-d2a4d1df-32
0.414
AHN-SAT-de2502ba-11
0.410
DAN-MCD-50ec7d1f-1
0.408
MAK-UNK-d4768348-7
0.408
KAT-UNK-b2a0d5b1-1
0.405
SAD-SAT-f2e2579e-7
0.404
MAR-TRE-6a44bbf2-8
0.403
AAR-POS-d2a4d1df-34
0.403
DRR-IMP-dff87f5e-5
0.403
NIM-UNI-05f93fcc-11
0.403
SAD-SAT-9a6c5cf3-9
0.400
SAD-SAT-f2e2579e-5
0.400
NIM-UNI-310206f0-68
0.398