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
JAY-UNK-11f5bdbd-1
0.600
PEI-IMP-ca0b2813-3
0.600
ABB-MCD-f8003a30-1
0.597
MAR-TRE-6a44bbf2-32
0.597
MAR-TRE-6a44bbf2-45
0.591
MAK-UNK-7c9d1431-30
0.591
MAK-UNK-7c9d1431-10
0.571
AAR-POS-d2a4d1df-23
0.565
BEN-DND-03406596-10
0.565
LON-WEI-8f408cad-4
0.565
MAR-TRE-6a44bbf2-18
0.565
MAR-TRE-6a44bbf2-68
0.557
AAR-POS-d2a4d1df-27
0.557
MAR-LAB-efb042c5-5
0.557
TAT-ENA-80bfd3e5-25
0.552
MAK-UNK-7c9d1431-4
0.552
MAR-TRE-6a44bbf2-78
0.548
MAK-UNK-7c9d1431-13
0.548
DRR-IMP-dff87f5e-8
0.547
TAT-ENA-80bfd3e5-43
0.545
MAK-UNK-7c9d1431-11
0.545
MAR-TRE-6a44bbf2-65
0.545
AAR-POS-d2a4d1df-44
0.541
DRR-IMP-dff87f5e-3
0.541
MAR-TRE-6a44bbf2-58
0.532
KAY-MCD-d0fe5261-1
0.532
DRR-IMP-dff87f5e-1
0.532
PEI-IMP-ca0b2813-2
0.532
DRR-IMP-dff87f5e-7
0.532
MAK-UNK-c74072e5-8
0.531
MAK-UNK-7c9d1431-6
0.531
DRR-IMP-dff87f5e-6
0.531
DRR-IMP-dff87f5e-9
0.531
MAK-UNK-7c9d1431-22
0.530
MAK-UNK-7c9d1431-3
0.529
DRR-IMP-dff87f5e-2
0.529
MAR-TRE-6a44bbf2-21
0.525
MAK-UNK-7c9d1431-9
0.525
MAR-TRE-6a44bbf2-49
0.522
MAK-UNK-7c9d1431-7
0.522
MAK-UNK-7c9d1431-5
0.522
MAR-TRE-6a44bbf2-31
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
MAR-TRE-6a44bbf2-36
0.500
MAK-UNK-7c9d1431-2
0.500
BAP-BUY-55f8bcae-1
0.493
PEI-IMP-ca0b2813-1
0.485
MAK-UNK-d4768348-9
0.478
SAD-SAT-bc31ec01-4
0.478
MAK-UNK-d4768348-7
0.470
BEN-DND-03406596-3
0.465
BEN-DND-76ad4ac9-14
0.465
SAD-SAT-3a925b8b-9
0.462
LON-WEI-8f408cad-3
0.462
AAR-POS-d2a4d1df-22
0.462
MAR-TRE-6a44bbf2-52
0.462
MAK-UNK-d4768348-1
0.462
MAK-UNK-d4768348-4
0.462
MAK-UNK-d4768348-8
0.455
MAK-UNK-d4768348-2
0.455
DRR-IMP-dff87f5e-4
0.453
MAK-UNK-c74072e5-9
0.450
WAR-XCH-79d12f6e-6
0.449
AAR-POS-0daf6b7e-3
0.449
AAR-POS-d2a4d1df-36
0.449
RHE-UNK-eb059eb9-1
0.449
MAR-TRE-6a44bbf2-13
0.449
AAR-POS-0daf6b7e-15
0.439
DRR-IMP-db50bf6e-5
0.439
MAR-TRE-fd17a9b8-2
0.439
BEN-DND-03406596-8
0.437
AAR-POS-d2a4d1df-37
0.437
MAR-TRE-6a44bbf2-7
0.437
MAK-UNK-7c9d1431-12
0.433
SAD-SAT-3a925b8b-3
0.433
LON-WEI-8f408cad-2
0.433
AAR-POS-d2a4d1df-32
0.433
MAR-TRE-6a44bbf2-4
0.433
NIM-UNI-05f93fcc-1
0.433
MAK-UNK-d4768348-5
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
KAT-UNK-b2a0d5b1-1
0.423
SAD-SAT-9a6c5cf3-6
0.422
MAR-TRE-6a44bbf2-8
0.420
DRR-IMP-dff87f5e-5
0.420
AAR-POS-d2a4d1df-34
0.420
PEI-IMP-668afc53-1
0.418
SAD-SAT-f2e2579e-10
0.418
SAD-SAT-f2e2579e-5
0.416