Molecular Properties | |
SMILES: | COc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)cc1OC |
MW: | 362.07 |
Fraction sp3: | 0.5 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 76.15 |
cLogP: | 0.78 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Enamine BB: | EN300-22631 |
Enamine SCR: | Z147647902 |
Enamine REAL: | Z220383432 |
Mcule: | MCULE-5358051320 |
MolPort: | MolPort-002-470-556 |
Hetero_hetero
MAK-UNK-7c9d1431-8
0.633
MAR-TRE-6a44bbf2-26
0.633
MAK-UNK-7c9d1431-17
0.607
MAR-TRE-6a44bbf2-32
0.597
ABB-MCD-f8003a30-1
0.597
MAR-TRE-6a44bbf2-45
0.591
MAK-UNK-7c9d1431-30
0.591
MAK-UNK-7c9d1431-10
0.571
MAR-TRE-6a44bbf2-18
0.565
LON-WEI-8f408cad-4
0.565
AAR-POS-d2a4d1df-23
0.565
MAR-TRE-6a44bbf2-68
0.557
AAR-POS-d2a4d1df-27
0.557
MAR-LAB-efb042c5-5
0.557
MAK-UNK-7c9d1431-4
0.552
TAT-ENA-80bfd3e5-25
0.552
MAK-UNK-7c9d1431-13
0.548
MAR-TRE-6a44bbf2-78
0.548
MAR-TRE-6a44bbf2-65
0.545
MAK-UNK-7c9d1431-11
0.545
TAT-ENA-80bfd3e5-43
0.545
AAR-POS-d2a4d1df-44
0.541
KAY-MCD-d0fe5261-1
0.532
MAR-TRE-6a44bbf2-58
0.532
MAK-UNK-7c9d1431-6
0.531
MAK-UNK-c74072e5-8
0.531
MAK-UNK-7c9d1431-22
0.530
MAK-UNK-7c9d1431-3
0.529
MAR-TRE-6a44bbf2-21
0.525
MAK-UNK-7c9d1431-9
0.525
MAR-TRE-6a44bbf2-31
0.522
MAR-TRE-6a44bbf2-49
0.522
MAK-UNK-7c9d1431-7
0.522
MAK-UNK-7c9d1431-5
0.522
SAD-SAT-bc31ec01-5
0.516
MAR-TRE-6a44bbf2-38
0.514
MAK-UNK-7c9d1431-1
0.514
MAT-POS-ee51dedd-2
0.508
SAD-SAT-3a925b8b-2
0.508
IND-SYN-6c8299e8-2
0.507
MAK-UNK-7c9d1431-2
0.500
MAR-TRE-6a44bbf2-36
0.500
MAK-UNK-d4768348-9
0.478
SAD-SAT-bc31ec01-4
0.478
MAK-UNK-d4768348-7
0.470
BEN-DND-76ad4ac9-14
0.465
MAK-UNK-d4768348-1
0.462
SAD-SAT-3a925b8b-9
0.462
MAK-UNK-d4768348-4
0.462
AAR-POS-d2a4d1df-22
0.462
LON-WEI-8f408cad-3
0.462
MAR-TRE-6a44bbf2-52
0.462
MAK-UNK-d4768348-2
0.455
MAK-UNK-d4768348-8
0.455
MAK-UNK-c74072e5-9
0.450
MAR-TRE-6a44bbf2-13
0.449
AAR-POS-d2a4d1df-36
0.449
WAR-XCH-79d12f6e-6
0.449
AAR-POS-0daf6b7e-3
0.449
AAR-POS-0daf6b7e-15
0.439
MAR-TRE-fd17a9b8-2
0.439
MAR-TRE-6a44bbf2-7
0.437
AAR-POS-d2a4d1df-37
0.437
AAR-POS-d2a4d1df-32
0.433
MAR-TRE-6a44bbf2-4
0.433
LON-WEI-8f408cad-2
0.433
NIM-UNI-05f93fcc-1
0.433
MAK-UNK-d4768348-5
0.433
MAK-UNK-7c9d1431-12
0.433
SAD-SAT-3a925b8b-3
0.433
MAK-UNK-d4768348-3
0.426
DAN-MCD-50ec7d1f-1
0.426
NIM-UNI-05f93fcc-15
0.423
SAD-SAT-9a6c5cf3-5
0.423
SAD-SAT-9a6c5cf3-6
0.422
MAR-TRE-6a44bbf2-8
0.420
AAR-POS-d2a4d1df-34
0.420
SAD-SAT-f2e2579e-10
0.418
SAD-SAT-f2e2579e-5
0.416
SAD-SAT-3a925b8b-7
0.414
SAD-SAT-3a925b8b-6
0.412
MAR-TRE-6a44bbf2-24
0.406
SAD-SAT-5b1897b2-5
0.403
SAD-SAT-f2e2579e-7
0.402
NIM-UNI-05f93fcc-11
0.400
MED-COV-4280ac29-5
0.398
SAD-SAT-9a6c5cf3-9
0.398
NIM-UNI-05f93fcc-7
0.397
KEN-MCD-6084b33e-1
0.397
MAR-TRE-fd17a9b8-47
0.395
NIM-UNI-310206f0-71
0.392
MAR-TRE-fd17a9b8-50
0.392
BEN-DND-76ad4ac9-13
0.392
MAR-TRE-6a44bbf2-28
0.391
MAK-UNK-7c9d1431-23
0.391
MAR-TRE-fd17a9b8-22
0.390
NIM-UNI-310206f0-69
0.390
SWA-SYN-6423ea73-2
0.389
SWA-SYN-d2e6fa14-2
0.389
MAK-UNK-6435e6c2-5
0.388