Molecular Properties | |
SMILES: | CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)cc1 |
MW: | 346.08 |
Fraction sp3: | 0.5 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 66.92 |
cLogP: | 1.16 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Enamine BB: | EN300-23040 |
Enamine SCR: | Z212045140 |
Mcule: | MCULE-6421620842 |
MolPort: | MolPort-002-470-629 |
Hetero_hetero
MAK-UNK-7c9d1431-17
0.732
DRR-IMP-dff87f5e-3
0.661
AAR-POS-d2a4d1df-44
0.661
MAR-LAB-efb042c5-5
0.649
MAR-TRE-6a44bbf2-68
0.649
AAR-POS-d2a4d1df-27
0.649
MAR-TRE-6a44bbf2-78
0.638
MAK-UNK-7c9d1431-13
0.638
DRR-IMP-dff87f5e-1
0.621
DRR-IMP-dff87f5e-7
0.621
KAY-MCD-d0fe5261-1
0.621
MAR-TRE-6a44bbf2-58
0.621
DRR-IMP-dff87f5e-9
0.617
MAK-UNK-7c9d1431-6
0.590
DRR-IMP-dff87f5e-6
0.590
MAK-UNK-c74072e5-8
0.590
MAK-UNK-7c9d1431-9
0.586
MAR-TRE-6a44bbf2-21
0.586
JAY-UNK-11f5bdbd-1
0.583
BAP-BUY-55f8bcae-1
0.569
PEI-IMP-ca0b2813-2
0.567
SAD-SAT-3a925b8b-2
0.541
MAR-TRE-6a44bbf2-26
0.540
MAK-UNK-7c9d1431-8
0.540
ABB-MCD-f8003a30-1
0.531
MAK-UNK-7c9d1431-10
0.531
MAR-TRE-6a44bbf2-32
0.531
MAK-UNK-7c9d1431-19
0.530
BEN-DND-03406596-8
0.530
SAD-SAT-bc31ec01-5
0.525
MAT-POS-ee51dedd-2
0.516
PEI-IMP-ca0b2813-3
0.515
DRR-IMP-dff87f5e-8
0.508
MAR-TRE-6a44bbf2-45
0.507
MAK-UNK-7c9d1431-30
0.507
LON-WEI-8f408cad-4
0.500
AAR-POS-d2a4d1df-23
0.500
MAK-UNK-d4768348-7
0.500
MAR-TRE-6a44bbf2-18
0.500
BEN-DND-03406596-10
0.500
DAV-UNK-07f953a2-3
0.494
DRR-IMP-dff87f5e-2
0.493
MAK-UNK-7c9d1431-3
0.493
PEI-IMP-ca0b2813-1
0.492
MAK-UNK-d4768348-4
0.492
SAD-SAT-3a925b8b-9
0.492
TAT-ENA-80bfd3e5-43
0.485
MAR-TRE-6a44bbf2-65
0.485
MAK-UNK-7c9d1431-11
0.485
SAD-SAT-bc31ec01-4
0.485
MAK-UNK-d4768348-8
0.484
SAD-SAT-3a925b8b-3
0.484
DRR-IMP-dff87f5e-4
0.484
SAD-SAT-9a6c5cf3-2
0.481
SAD-SAT-f2e2579e-10
0.480
SAD-SAT-f2e2579e-5
0.479
MAR-TRE-6a44bbf2-38
0.479
MAK-UNK-7c9d1431-1
0.479
MAK-UNK-7c9d1431-4
0.471
TAT-ENA-80bfd3e5-25
0.471
MAK-UNK-d4768348-1
0.469
AAR-POS-0daf6b7e-15
0.469
SAD-SAT-9a6c5cf3-5
0.467
MAK-UNK-7c9d1431-2
0.466
MAR-TRE-6a44bbf2-36
0.466
MAR-TRE-6a44bbf2-31
0.465
MAK-UNK-7c9d1431-5
0.465
MAR-TRE-6a44bbf2-49
0.465
MAK-UNK-7c9d1431-7
0.465
MAK-UNK-d4768348-9
0.464
MAK-UNK-7c9d1431-12
0.462
SAD-SAT-3a925b8b-6
0.462
MAK-UNK-d4768348-5
0.462
MED-COV-4280ac29-5
0.456
IND-SYN-6c8299e8-2
0.451
NIM-UNI-05f93fcc-15
0.447
AAR-POS-d2a4d1df-22
0.446
DRR-IMP-db50bf6e-5
0.446
MAR-TRE-6a44bbf2-52
0.446
LON-WEI-8f408cad-3
0.446
MAK-UNK-d4768348-2
0.439
LON-WEI-8f408cad-2
0.439
NIM-UNI-05f93fcc-1
0.439
AAR-POS-d2a4d1df-32
0.439
MAR-TRE-6a44bbf2-4
0.439
SAD-SAT-9a6c5cf3-9
0.438
MAR-TRE-6a44bbf2-13
0.435
AAR-POS-d2a4d1df-36
0.435
WAR-XCH-79d12f6e-6
0.435
AAR-POS-0daf6b7e-3
0.435
RHE-UNK-eb059eb9-1
0.435
BEN-DND-03406596-3
0.431
BEN-DND-76ad4ac9-14
0.431
DRR-IMP-dff87f5e-5
0.426
MAR-TRE-6a44bbf2-8
0.426
AAR-POS-d2a4d1df-34
0.426
NIM-UNI-05f93fcc-11
0.425
PEI-IMP-668afc53-1
0.423
MAK-UNK-c74072e5-9
0.420
MAT-POS-b5746674-56
0.418