Molecular Properties | |
SMILES: | CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)cc1 |
MW: | 344.06 |
Fraction sp3: | 0.43 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 74.76 |
cLogP: | 0.96 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Enamine BB: | EN300-22958 |
Enamine SCR: | Z199040676 |
Enamine REAL: | Z199040676 |
Mcule: | MCULE-7730590963 |
MolPort: | MolPort-002-470-600 |
Ketone
Hetero_hetero
MAR-TRE-6a44bbf2-78
1.000
MAR-LAB-efb042c5-5
0.712
AAR-POS-d2a4d1df-27
0.712
MAR-TRE-6a44bbf2-68
0.712
AAR-POS-d2a4d1df-44
0.692
DRR-IMP-dff87f5e-3
0.692
DRR-IMP-dff87f5e-7
0.679
DRR-IMP-dff87f5e-1
0.679
KAY-MCD-d0fe5261-1
0.679
MAR-TRE-6a44bbf2-58
0.679
MAK-UNK-7c9d1431-17
0.673
MAK-UNK-c74072e5-8
0.643
DRR-IMP-dff87f5e-6
0.643
DRR-IMP-dff87f5e-9
0.643
MAK-UNK-7c9d1431-6
0.643
MAK-UNK-7c9d1431-9
0.642
MAR-TRE-6a44bbf2-21
0.642
MAK-UNK-7c9d1431-22
0.638
MAK-UNK-7c9d1431-11
0.627
TAT-ENA-80bfd3e5-43
0.627
MAR-TRE-6a44bbf2-65
0.627
PEI-IMP-ca0b2813-2
0.618
BAP-BUY-55f8bcae-1
0.617
SAD-SAT-3a925b8b-2
0.589
MAT-POS-ee51dedd-2
0.589
MAR-TRE-6a44bbf2-26
0.586
MAK-UNK-7c9d1431-8
0.586
JAY-UNK-11f5bdbd-1
0.579
MAR-TRE-6a44bbf2-32
0.576
ABB-MCD-f8003a30-1
0.576
MAK-UNK-7c9d1431-10
0.550
BEN-DND-03406596-8
0.548
MAK-UNK-7c9d1431-19
0.548
SAD-SAT-bc31ec01-5
0.544
BEN-DND-03406596-10
0.542
LON-WEI-8f408cad-4
0.542
AAR-POS-d2a4d1df-23
0.542
MAR-TRE-6a44bbf2-18
0.542
PEI-IMP-ca0b2813-1
0.533
DRR-IMP-dff87f5e-8
0.525
SAD-SAT-bc31ec01-4
0.525
MAK-UNK-d4768348-7
0.517
MAK-UNK-d4768348-1
0.508
SAD-SAT-3a925b8b-9
0.508
MAK-UNK-d4768348-4
0.508
PEI-IMP-ca0b2813-3
0.508
DRR-IMP-dff87f5e-2
0.508
TAT-ENA-80bfd3e5-25
0.508
MAK-UNK-7c9d1431-3
0.508
MAK-UNK-7c9d1431-4
0.508
MAK-UNK-d4768348-8
0.500
DRR-IMP-dff87f5e-4
0.500
MAK-UNK-7c9d1431-5
0.500
MAK-UNK-7c9d1431-7
0.500
MAR-TRE-6a44bbf2-49
0.500
MAR-TRE-6a44bbf2-31
0.500
MAK-UNK-d4768348-2
0.500
MAK-UNK-d4768348-5
0.500
SAD-SAT-f2e2579e-5
0.493
MAK-UNK-7c9d1431-1
0.493
MAR-TRE-6a44bbf2-38
0.493
AAR-POS-d2a4d1df-36
0.492
MED-COV-4280ac29-5
0.486
IND-SYN-6c8299e8-2
0.485
MAR-TRE-6a44bbf2-52
0.483
AAR-POS-d2a4d1df-22
0.483
LON-WEI-8f408cad-3
0.483
AAR-POS-0daf6b7e-15
0.483
DRR-IMP-db50bf6e-5
0.483
SAD-SAT-9a6c5cf3-5
0.479
MAR-TRE-6a44bbf2-36
0.478
MAK-UNK-7c9d1431-2
0.478
MAK-UNK-d4768348-9
0.477
MAK-UNK-7c9d1431-12
0.475
SAD-SAT-3a925b8b-3
0.475
AAR-POS-d2a4d1df-32
0.475
NIM-UNI-05f93fcc-1
0.475
MAR-TRE-6a44bbf2-4
0.475
LON-WEI-8f408cad-2
0.475
SAD-SAT-f2e2579e-10
0.472
RHE-UNK-eb059eb9-1
0.469
MAR-TRE-6a44bbf2-13
0.469
AAR-POS-0daf6b7e-3
0.469
WAR-XCH-79d12f6e-6
0.469
DRR-IMP-dff87f5e-5
0.460
MAR-TRE-6a44bbf2-8
0.460
AAR-POS-d2a4d1df-34
0.460
MAK-UNK-7c9d1431-30
0.456
MAR-TRE-6a44bbf2-45
0.456
AAR-POS-d2a4d1df-37
0.455
KEN-MCD-6084b33e-1
0.455
MAR-TRE-6a44bbf2-7
0.455
SAD-SAT-9a6c5cf3-2
0.453
SAD-SAT-3a925b8b-6
0.452
SAD-SAT-9a6c5cf3-9
0.447
MAK-UNK-c74072e5-9
0.447
MAR-TRE-6a44bbf2-24
0.444
MAK-UNK-d4768348-3
0.444
BEN-DND-03406596-3
0.441
BEN-DND-76ad4ac9-14
0.441