Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 |
MW: | 338.763 |
Fraction sp3: | 0.42 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 57.69 |
cLogP: | 1.0365 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Enamine BB: | EN300-22578 |
Enamine SCR: | Z199040726 |
Enamine REAL: | Z199040726 |
Mcule: | MCULE-6757354630 |
MolPort: | MolPort-002-470-542 |
Activated haloaromatics
Hetero_hetero
ABB-MCD-f8003a30-1
1.000
MAK-UNK-7c9d1431-10
0.745
MAR-TRE-6a44bbf2-18
0.649
LON-WEI-8f408cad-4
0.649
AAR-POS-d2a4d1df-23
0.649
MAR-TRE-6a44bbf2-26
0.638
MAK-UNK-7c9d1431-8
0.638
AAR-POS-d2a4d1df-44
0.625
MAR-TRE-6a44bbf2-58
0.614
KAY-MCD-d0fe5261-1
0.614
MAK-UNK-7c9d1431-11
0.597
MAR-TRE-6a44bbf2-65
0.597
MAK-UNK-7c9d1431-19
0.597
TAT-ENA-80bfd3e5-43
0.597
MAR-TRE-6a44bbf2-68
0.586
MAR-LAB-efb042c5-5
0.586
AAR-POS-d2a4d1df-27
0.586
PEI-IMP-ca0b2813-3
0.578
IND-SYN-6c8299e8-2
0.578
TAT-ENA-80bfd3e5-25
0.578
MAK-UNK-7c9d1431-4
0.578
MAK-UNK-7c9d1431-13
0.576
MAR-TRE-6a44bbf2-78
0.576
MAK-UNK-c74072e5-9
0.569
SAD-SAT-bc31ec01-5
0.569
MAK-UNK-7c9d1431-17
0.557
BEN-DND-76ad4ac9-14
0.554
MAK-UNK-7c9d1431-3
0.554
MAK-UNK-7c9d1431-9
0.552
MAR-TRE-6a44bbf2-21
0.552
MAK-UNK-7c9d1431-5
0.545
MAR-TRE-6a44bbf2-49
0.545
MAR-TRE-6a44bbf2-31
0.545
MAK-UNK-7c9d1431-7
0.545
MAK-UNK-7c9d1431-1
0.537
MAR-TRE-6a44bbf2-38
0.537
PEI-IMP-ca0b2813-2
0.533
SAD-SAT-3a925b8b-2
0.533
MAT-POS-ee51dedd-2
0.533
MAK-UNK-c74072e5-8
0.532
MAK-UNK-7c9d1431-6
0.532
MAK-UNK-7c9d1431-22
0.531
AAR-POS-d2a4d1df-32
0.525
LON-WEI-8f408cad-2
0.525
MAR-TRE-6a44bbf2-4
0.525
SAD-SAT-bc31ec01-4
0.524
MAR-TRE-6a44bbf2-36
0.522
MAK-UNK-7c9d1431-2
0.522
PEI-IMP-ca0b2813-1
0.508
MAR-TRE-6a44bbf2-8
0.508
AAR-POS-d2a4d1df-34
0.508
DAN-MCD-50ec7d1f-1
0.492
BEN-DND-76ad4ac9-10
0.486
MAR-TRE-6a44bbf2-45
0.478
MAK-UNK-7c9d1431-30
0.478
BEN-DND-76ad4ac9-12
0.471
MAR-TRE-6a44bbf2-13
0.470
AAR-POS-0daf6b7e-3
0.470
WAR-XCH-79d12f6e-6
0.470
AAR-POS-d2a4d1df-36
0.470
MAK-UNK-d4768348-7
0.469
BEN-DND-76ad4ac9-11
0.464
SAD-SAT-3a925b8b-9
0.460
AAR-POS-d2a4d1df-22
0.460
LON-WEI-8f408cad-3
0.460
MAK-UNK-d4768348-1
0.460
MAK-UNK-d4768348-4
0.460
AAR-POS-0daf6b7e-15
0.460
MAR-TRE-6a44bbf2-52
0.460
KEN-MCD-6084b33e-1
0.456
SAD-SAT-3a925b8b-3
0.453
SAD-SAT-3a925b8b-6
0.453
MAK-UNK-d4768348-5
0.453
MAK-UNK-d4768348-8
0.453
NIM-UNI-05f93fcc-1
0.453
MAK-UNK-7c9d1431-12
0.453
MAK-UNK-6435e6c2-5
0.452
MAK-UNK-d4768348-9
0.435
MAK-UNK-d4768348-2
0.431
MAR-TRE-6a44bbf2-24
0.424
MAK-UNK-d4768348-3
0.424
DAN-MCD-5c762fbe-1
0.424
SAD-SAT-9a6c5cf3-6
0.420
MAK-UNK-10dfa458-29
0.418
MAK-UNK-7c9d1431-27
0.418
NIM-UNI-05f93fcc-11
0.417
AAR-POS-d2a4d1df-37
0.414
MAR-TRE-6a44bbf2-7
0.414
SAD-SAT-f2e2579e-5
0.413
NIM-UNI-05f93fcc-7
0.413
IND-SYN-6c8299e8-7
0.413
MED-COV-4280ac29-5
0.412
SAD-SAT-3a925b8b-7
0.412
ZAC-MCD-2bc172dc-1
0.412
SAD-SAT-bc31ec01-8
0.411
SAD-SAT-2ceae68f-1
0.410
NIM-UNI-310206f0-68
0.410
MAR-TRE-6a44bbf2-28
0.409
MAK-UNK-7c9d1431-23
0.409
BEN-DND-76ad4ac9-13
0.408