Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 |
MW: | 336.01 |
Fraction sp3: | 0.42 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 57.69 |
cLogP: | 1.41 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Enamine BB: | EN300-23011 |
Enamine SCR: | Z208155016 |
Enamine REAL: | Z208155016 |
Mcule: | MCULE-3058249628 |
MolPort: | MolPort-002-470-620 |
Activated haloaromatics
Hetero_hetero
MAR-TRE-6a44bbf2-8
0.643
DRR-IMP-dff87f5e-5
0.643
AAR-POS-d2a4d1df-34
0.643
AAR-POS-d2a4d1df-37
0.600
MAR-TRE-6a44bbf2-7
0.600
DRR-IMP-dff87f5e-4
0.582
DRR-IMP-db50bf6e-4
0.565
MAR-TRE-6a44bbf2-21
0.554
MAK-UNK-7c9d1431-9
0.554
DRR-IMP-dff87f5e-3
0.544
AAR-POS-d2a4d1df-44
0.544
BEN-DND-76ad4ac9-11
0.531
BEN-DND-03406596-9
0.531
NIM-UNI-05f93fcc-3
0.522
PEI-IMP-ca0b2813-4
0.522
MAR-TRE-6a44bbf2-13
0.516
WAR-XCH-79d12f6e-6
0.516
AAR-POS-d2a4d1df-36
0.516
RHE-UNK-eb059eb9-1
0.516
AAR-POS-0daf6b7e-3
0.516
PEI-IMP-668afc53-1
0.514
LON-WEI-8f408cad-3
0.508
AAR-POS-d2a4d1df-22
0.508
MAR-TRE-6a44bbf2-52
0.508
AAR-POS-0daf6b7e-15
0.508
KAT-UNK-b2a0d5b1-1
0.508
AAR-POS-d2a4d1df-32
0.500
JAY-UNK-11f5bdbd-1
0.500
NIM-UNI-05f93fcc-1
0.500
DRR-IMP-dff87f5e-8
0.500
MAR-TRE-6a44bbf2-4
0.500
LON-WEI-8f408cad-2
0.500
SAD-SAT-bc31ec01-10
0.493
SAD-SAT-9a6c5cf3-10
0.493
MAR-TRE-6a44bbf2-18
0.492
AAR-POS-d2a4d1df-23
0.492
BEN-DND-03406596-10
0.492
LON-WEI-8f408cad-4
0.492
SAD-SAT-bc31ec01-5
0.492
PEI-IMP-ca0b2813-1
0.484
MAT-POS-ee51dedd-2
0.483
SAD-SAT-3a925b8b-9
0.483
PEI-IMP-ca0b2813-2
0.483
SAD-SAT-3a925b8b-2
0.483
MAR-TRE-6a44bbf2-68
0.483
MAR-LAB-efb042c5-5
0.483
DRR-IMP-db50bf6e-5
0.483
DRR-IMP-dff87f5e-7
0.483
MAR-TRE-6a44bbf2-58
0.483
KAY-MCD-d0fe5261-1
0.483
DRR-IMP-dff87f5e-1
0.483
AAR-POS-d2a4d1df-27
0.483
MAK-UNK-c74072e5-4
0.480
MAR-TRE-6a44bbf2-45
0.478
MAK-UNK-7c9d1431-30
0.478
TAT-ENA-80bfd3e5-43
0.477
MAR-TRE-6a44bbf2-65
0.477
MAK-UNK-7c9d1431-11
0.477
MAK-UNK-7c9d1431-10
0.476
MAK-UNK-7c9d1431-13
0.475
SAD-SAT-3a925b8b-6
0.475
MAR-TRE-6a44bbf2-78
0.475
SAD-SAT-f2e2579e-6
0.473
MAK-UNK-d4768348-7
0.468
SAD-SAT-f2e2579e-4
0.467
MAK-UNK-7c9d1431-3
0.463
DRR-IMP-dff87f5e-2
0.463
MAK-UNK-7c9d1431-22
0.462
MAR-TRE-6a44bbf2-26
0.460
MAK-UNK-c74072e5-8
0.460
MAK-UNK-7c9d1431-17
0.460
DRR-IMP-dff87f5e-6
0.460
DRR-IMP-dff87f5e-9
0.460
MAK-UNK-7c9d1431-6
0.460
MAK-UNK-7c9d1431-8
0.460
MAK-UNK-d4768348-1
0.459
MAK-UNK-d4768348-4
0.459
NAU-LAT-f723e322-5
0.453
MAR-TRE-6a44bbf2-32
0.453
ABB-MCD-f8003a30-1
0.453
SAD-SAT-bc31ec01-4
0.453
MAK-UNK-d4768348-2
0.452
MAR-TRE-6a44bbf2-28
0.452
SAD-SAT-3a925b8b-3
0.452
MAK-UNK-d4768348-8
0.452
MAK-UNK-7c9d1431-23
0.452
MAK-UNK-d4768348-5
0.452
NIM-UNI-05f93fcc-2
0.449
BEN-DND-76ad4ac9-12
0.448
BEN-DND-76ad4ac9-13
0.448
BEN-DND-03406596-5
0.448
BEN-DND-03406596-2
0.448
MAK-UNK-d4768348-3
0.444
BEN-DND-03406596-3
0.441
MAK-UNK-7c9d1431-4
0.441
PEI-IMP-ca0b2813-3
0.441
BEN-DND-76ad4ac9-14
0.441
IND-SYN-6c8299e8-2
0.441
TAT-ENA-80bfd3e5-25
0.441
MAT-POS-590ac91e-68
0.438