Molecular Properties | |
SMILES: | COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CCl)CC2)c1 |
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: | EN300-23052 |
Enamine SCR: | Z147647854 |
Enamine REAL: | Z235361361 |
Mcule: | MCULE-7306101574 |
MolPort: | MolPort-002-498-235 |
Hetero_hetero
MAK-UNK-7c9d1431-30
1.000
MAK-UNK-7c9d1431-19
0.591
MAK-UNK-7c9d1431-17
0.578
PEI-IMP-ca0b2813-3
0.574
PEI-IMP-668afc53-1
0.533
MAK-UNK-7c9d1431-8
0.507
MAR-TRE-6a44bbf2-26
0.507
MAK-UNK-7c9d1431-22
0.507
AAR-POS-d2a4d1df-36
0.493
MAR-TRE-6a44bbf2-13
0.493
WAR-XCH-79d12f6e-6
0.493
RHE-UNK-eb059eb9-1
0.493
AAR-POS-0daf6b7e-3
0.493
MAK-UNK-7c9d1431-11
0.479
MAR-TRE-6a44bbf2-65
0.479
TAT-ENA-80bfd3e5-43
0.479
MAR-TRE-6a44bbf2-32
0.478
ABB-MCD-f8003a30-1
0.478
MAK-UNK-7c9d1431-12
0.478
JAY-UNK-11f5bdbd-1
0.478
AAR-POS-d2a4d1df-23
0.471
BEN-DND-03406596-10
0.471
MAR-TRE-6a44bbf2-18
0.471
LON-WEI-8f408cad-4
0.471
KAT-UNK-b2a0d5b1-1
0.465
AAR-POS-d2a4d1df-34
0.464
DRR-IMP-dff87f5e-5
0.464
MAR-TRE-6a44bbf2-8
0.464
MAR-LAB-efb042c5-5
0.463
MAR-TRE-6a44bbf2-68
0.463
PEI-IMP-ca0b2813-2
0.463
AAR-POS-d2a4d1df-27
0.463
NIM-UNI-05f93fcc-15
0.462
MAK-UNK-7c9d1431-10
0.457
DRR-IMP-dff87f5e-8
0.457
MAR-TRE-6a44bbf2-78
0.456
MAK-UNK-7c9d1431-13
0.456
MAR-TRE-6a44bbf2-21
0.455
MAK-UNK-7c9d1431-9
0.455
PEI-IMP-668afc53-2
0.450
MAK-UNK-d4768348-7
0.449
DRR-IMP-dff87f5e-3
0.448
AAR-POS-d2a4d1df-44
0.448
SAD-SAT-bc31ec01-5
0.448
MAK-UNK-7c9d1431-3
0.446
DRR-IMP-dff87f5e-2
0.446
LON-WEI-8f408cad-3
0.441
DRR-IMP-dff87f5e-1
0.441
MAR-TRE-6a44bbf2-58
0.441
MAK-UNK-d4768348-1
0.441
AAR-POS-d2a4d1df-22
0.441
DRR-IMP-dff87f5e-7
0.441
MAR-TRE-6a44bbf2-52
0.441
SAD-SAT-3a925b8b-2
0.441
KAY-MCD-d0fe5261-1
0.441
MAK-UNK-d4768348-4
0.441
MAT-POS-ee51dedd-2
0.441
AAR-POS-d2a4d1df-37
0.438
MAK-UNK-d4768348-9
0.438
MAR-TRE-6a44bbf2-7
0.438
LON-WEI-8f408cad-2
0.435
AAR-POS-d2a4d1df-32
0.435
MAR-TRE-6a44bbf2-4
0.435
MAR-TRE-6a44bbf2-38
0.434
MAK-UNK-7c9d1431-1
0.434
DRR-IMP-dff87f5e-4
0.433
DRR-IMP-db50bf6e-4
0.432
TAT-ENA-80bfd3e5-25
0.427
IND-SYN-6c8299e8-2
0.427
BEN-DND-03406596-3
0.427
MAK-UNK-7c9d1431-4
0.427
BEN-DND-76ad4ac9-14
0.427
MAR-TRE-6a44bbf2-36
0.423
MAK-UNK-7c9d1431-2
0.423
MAR-TRE-6a44bbf2-42
0.423
PEI-IMP-ca0b2813-1
0.423
MAK-UNK-7c9d1431-6
0.423
DRR-IMP-dff87f5e-6
0.423
DRR-IMP-dff87f5e-9
0.423
MAK-UNK-c74072e5-8
0.423
MAR-TRE-6a44bbf2-31
0.421
MAK-UNK-7c9d1431-7
0.421
MAR-TRE-6a44bbf2-49
0.421
MAK-UNK-7c9d1431-5
0.421
AAR-POS-0daf6b7e-15
0.420
DRR-IMP-db50bf6e-5
0.420
SAD-SAT-3a925b8b-9
0.420
SAD-SAT-bc31ec01-4
0.417
NIM-UNI-05f93fcc-1
0.414
MAK-UNK-d4768348-2
0.414
MAK-UNK-d4768348-8
0.414
MAK-UNK-d4768348-5
0.414
BAP-BUY-55f8bcae-1
0.413
AAR-POS-0daf6b7e-18
0.412
BEN-DND-76ad4ac9-10
0.410
BEN-DND-03406596-6
0.410
MAK-UNK-d4768348-3
0.408
BEN-DND-76ad4ac9-11
0.408
BEN-DND-03406596-9
0.408
PEI-IMP-ca0b2813-4
0.407