Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 |
MW: | 320.773 |
Fraction sp3: | 0.42 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 57.69 |
cLogP: | 0.8974 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Enamine BB: | EN300-22573 |
Enamine SCR: | Z147647366 |
Enamine REAL: | Z147647366 |
Enamine Extended REAL: | m_270062____7595260____8147258 |
Mcule: | MCULE-1871038012 |
MolPort: | MolPort-002-470-541 |
Activated haloaromatics
Hetero_hetero
KAY-MCD-d0fe5261-1
1.000
MAR-TRE-6a44bbf2-58
1.000
BEN-DND-03406596-8
0.792
AAR-POS-d2a4d1df-44
0.706
DRR-IMP-dff87f5e-3
0.706
MAR-TRE-6a44bbf2-68
0.692
DRR-IMP-dff87f5e-7
0.692
AAR-POS-d2a4d1df-27
0.692
MAR-LAB-efb042c5-5
0.692
DRR-IMP-dff87f5e-6
0.685
MAK-UNK-7c9d1431-13
0.679
MAR-TRE-6a44bbf2-78
0.679
MAK-UNK-c74072e5-8
0.655
DRR-IMP-dff87f5e-9
0.655
MAK-UNK-7c9d1431-6
0.655
MAK-UNK-7c9d1431-17
0.655
MAK-UNK-7c9d1431-9
0.654
MAR-TRE-6a44bbf2-21
0.654
BEN-DND-03406596-10
0.636
AAR-POS-d2a4d1df-23
0.636
MAR-TRE-6a44bbf2-18
0.636
LON-WEI-8f408cad-4
0.636
PEI-IMP-ca0b2813-2
0.630
MAK-UNK-7c9d1431-22
0.621
MAR-TRE-6a44bbf2-32
0.614
ABB-MCD-f8003a30-1
0.614
MAK-UNK-7c9d1431-10
0.614
BAP-BUY-55f8bcae-1
0.600
SAD-SAT-3a925b8b-2
0.600
JAY-UNK-11f5bdbd-1
0.589
MAT-POS-ee51dedd-2
0.571
MAK-UNK-7c9d1431-8
0.569
MAR-TRE-6a44bbf2-26
0.569
DRR-IMP-dff87f5e-8
0.559
SAD-SAT-bc31ec01-5
0.554
PEI-IMP-ca0b2813-1
0.542
KAT-UNK-b2a0d5b1-1
0.541
IND-SYN-6c8299e8-2
0.540
TAT-ENA-80bfd3e5-25
0.540
MAK-UNK-7c9d1431-4
0.540
AAR-POS-d2a4d1df-32
0.534
LON-WEI-8f408cad-2
0.534
MAR-TRE-6a44bbf2-4
0.534
TAT-ENA-80bfd3e5-43
0.532
MAK-UNK-7c9d1431-11
0.532
MAR-TRE-6a44bbf2-65
0.532
MAK-UNK-7c9d1431-19
0.532
MAT-POS-b5746674-57
0.528
MAK-UNK-d4768348-7
0.525
MAK-UNK-7c9d1431-1
0.523
MAR-TRE-6a44bbf2-38
0.523
MAK-UNK-d4768348-1
0.517
MAK-UNK-d4768348-4
0.517
SAD-SAT-3a925b8b-9
0.517
AAR-POS-d2a4d1df-34
0.517
MAR-TRE-6a44bbf2-8
0.517
DRR-IMP-dff87f5e-5
0.517
PEI-IMP-ca0b2813-3
0.516
MAK-UNK-7c9d1431-3
0.516
BEN-DND-03406596-3
0.516
BEN-DND-76ad4ac9-14
0.516
DRR-IMP-dff87f5e-2
0.516
DRR-IMP-dff87f5e-4
0.509
NIM-UNI-05f93fcc-1
0.508
MAK-UNK-d4768348-8
0.508
MAK-UNK-d4768348-5
0.508
MAK-UNK-d4768348-2
0.508
SAD-SAT-bc31ec01-4
0.508
MAK-UNK-7c9d1431-5
0.508
MAR-TRE-6a44bbf2-31
0.508
MAK-UNK-7c9d1431-7
0.508
MAR-TRE-6a44bbf2-49
0.508
MAR-TRE-6a44bbf2-36
0.507
MAK-UNK-7c9d1431-2
0.507
SAD-SAT-f2e2579e-5
0.500
MED-COV-4280ac29-5
0.493
MAR-TRE-6a44bbf2-52
0.492
AAR-POS-0daf6b7e-15
0.492
AAR-POS-d2a4d1df-22
0.492
LON-WEI-8f408cad-3
0.492
SAD-SAT-9a6c5cf3-5
0.486
MAK-UNK-7c9d1431-12
0.483
SAD-SAT-3a925b8b-6
0.483
SAD-SAT-3a925b8b-3
0.483
MAT-POS-162a9720-4
0.482
SAD-SAT-f2e2579e-10
0.479
DAN-MCD-50ec7d1f-1
0.475
KAI-MCD-cb49037b-1
0.475
DRR-IMP-db50bf6e-1
0.474
MAK-UNK-c74072e5-9
0.473
BEN-DND-76ad4ac9-10
0.471
BEN-DND-03406596-6
0.471
DRR-IMP-db50bf6e-5
0.467
MAK-UNK-d4768348-9
0.462
BEN-DND-76ad4ac9-12
0.455
BEN-DND-03406596-2
0.455
SAD-SAT-9a6c5cf3-9
0.453
RHE-UNK-eb059eb9-1
0.453
WAR-XCH-79d12f6e-6
0.453
AAR-POS-0daf6b7e-3
0.453