Molecular Properties | |
SMILES: | CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)c1 |
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: | EN300-24662 |
Enamine SCR: | Z199468904 |
Mcule: | MCULE-3502555988 |
MolPort: | MolPort-002-471-307 |
Ketone
Hetero_hetero
MAR-TRE-6a44bbf2-65
1.000
TAT-ENA-80bfd3e5-43
1.000
KEN-MCD-6084b33e-1
0.759
LON-WEI-8f408cad-4
0.672
AAR-POS-d2a4d1df-23
0.672
MAR-TRE-6a44bbf2-18
0.672
MAR-TRE-6a44bbf2-78
0.627
MAK-UNK-7c9d1431-13
0.627
PEI-IMP-ca0b2813-3
0.625
MAK-UNK-7c9d1431-4
0.600
IND-SYN-6c8299e8-2
0.600
TAT-ENA-80bfd3e5-25
0.600
ABB-MCD-f8003a30-1
0.597
MAR-TRE-6a44bbf2-32
0.597
MAK-UNK-7c9d1431-8
0.581
MAR-TRE-6a44bbf2-26
0.581
MAK-UNK-7c9d1431-9
0.576
MAR-TRE-6a44bbf2-21
0.576
MAK-UNK-7c9d1431-10
0.571
BEN-DND-76ad4ac9-14
0.552
MAK-UNK-7c9d1431-19
0.545
MAT-POS-ee51dedd-2
0.532
AAR-POS-d2a4d1df-27
0.532
MAR-TRE-6a44bbf2-58
0.532
KAY-MCD-d0fe5261-1
0.532
PEI-IMP-ca0b2813-2
0.532
MAR-TRE-6a44bbf2-68
0.532
MAR-LAB-efb042c5-5
0.532
PEI-IMP-ca0b2813-1
0.531
MAK-UNK-7c9d1431-3
0.529
AAR-POS-d2a4d1df-44
0.516
SAD-SAT-bc31ec01-5
0.516
DAN-MCD-50ec7d1f-1
0.516
SAD-SAT-3a925b8b-2
0.508
MAK-UNK-7c9d1431-17
0.508
MAK-UNK-7c9d1431-7
0.500
MAR-TRE-6a44bbf2-4
0.500
MAR-TRE-6a44bbf2-49
0.500
MAK-UNK-7c9d1431-5
0.500
MAK-UNK-6435e6c2-5
0.500
AAR-POS-d2a4d1df-32
0.500
MAR-TRE-6a44bbf2-31
0.500
LON-WEI-8f408cad-2
0.500
MAR-TRE-6a44bbf2-38
0.493
MAK-UNK-7c9d1431-1
0.493
WAR-XCH-79d12f6e-6
0.493
MAR-TRE-6a44bbf2-13
0.493
AAR-POS-0daf6b7e-3
0.493
AAR-POS-d2a4d1df-36
0.493
MAK-UNK-c74072e5-9
0.487
MAK-UNK-7c9d1431-22
0.485
MAR-TRE-6a44bbf2-8
0.485
AAR-POS-d2a4d1df-34
0.485
MAK-UNK-c74072e5-8
0.485
MAK-UNK-7c9d1431-6
0.485
MAK-UNK-7c9d1431-2
0.479
MAR-TRE-6a44bbf2-36
0.479
MAK-UNK-7c9d1431-30
0.479
MAR-TRE-6a44bbf2-45
0.479
SAD-SAT-bc31ec01-4
0.478
MAK-UNK-7c9d1431-12
0.477
DAN-MCD-5c762fbe-1
0.470
MAR-TRE-6a44bbf2-52
0.462
MAK-UNK-d4768348-4
0.462
AAR-POS-d2a4d1df-22
0.462
LON-WEI-8f408cad-3
0.462
MAK-UNK-d4768348-1
0.462
AAR-POS-d2a4d1df-37
0.457
MAR-TRE-6a44bbf2-7
0.457
MAK-UNK-d4768348-7
0.448
SAD-SAT-3a925b8b-9
0.439
AAR-POS-0daf6b7e-15
0.439
ANT-OPE-7824651a-2
0.435
IND-SYN-6c8299e8-7
0.434
SAD-SAT-3a925b8b-3
0.433
MAK-UNK-d4768348-5
0.433
MAK-UNK-d4768348-8
0.433
NIM-UNI-05f93fcc-1
0.433
BEN-DND-76ad4ac9-12
0.431
SAD-SAT-2ceae68f-1
0.430
BEN-DND-76ad4ac9-6
0.426
MAK-UNK-10dfa458-5
0.426
BEN-DND-76ad4ac9-11
0.425
MAK-UNK-10dfa458-29
0.420
NIM-UNI-05f93fcc-11
0.419
MAK-UNK-d4768348-9
0.417
MED-COV-4280ac29-5
0.415
NIM-UNI-05f93fcc-2
0.413
SAD-SAT-3a925b8b-6
0.412
MAK-UNK-d4768348-2
0.412
MAR-TRE-6a44bbf2-28
0.412
MAK-UNK-7c9d1431-23
0.412
NIM-UNI-310206f0-69
0.408
BEN-DND-76ad4ac9-10
0.408
MAR-TRE-6a44bbf2-24
0.406
MAK-UNK-d4768348-3
0.406
NAU-LAT-f723e322-5
0.402
SAD-SAT-bc31ec01-10
0.402
NIM-UNI-05f93fcc-7
0.397
ANT-OPE-7824651a-1
0.395