Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(S(=O)(=O)c2cpcc(Cl)c2)CC1 |
MW: | 353.98 |
Fraction sp3: | 0.45 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 57.69 |
cLogP: | 1.99 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activated haloaromatics
Hetero_hetero
SAD-SAT-bc31ec01-5
0.625
DRR-IMP-dff87f5e-8
0.574
AAR-POS-d2a4d1df-44
0.569
DRR-IMP-dff87f5e-3
0.569
JAY-UNK-11f5bdbd-1
0.550
MAK-UNK-7c9d1431-10
0.548
SAD-SAT-3a925b8b-2
0.533
MAK-UNK-7c9d1431-9
0.525
MAR-TRE-6a44bbf2-21
0.525
MAR-TRE-6a44bbf2-78
0.525
MAK-UNK-7c9d1431-13
0.525
ABB-MCD-f8003a30-1
0.524
MAR-TRE-6a44bbf2-32
0.524
BEN-DND-03406596-10
0.516
MAR-TRE-6a44bbf2-18
0.516
LON-WEI-8f408cad-4
0.516
AAR-POS-d2a4d1df-23
0.516
DRR-IMP-dff87f5e-7
0.508
SAD-SAT-3a925b8b-9
0.508
MAR-LAB-efb042c5-5
0.508
KAY-MCD-d0fe5261-1
0.508
AAR-POS-d2a4d1df-27
0.508
MAR-TRE-6a44bbf2-68
0.508
DRR-IMP-dff87f5e-1
0.508
MAR-TRE-6a44bbf2-58
0.508
PEI-IMP-ca0b2813-2
0.508
MAT-POS-ee51dedd-2
0.508
DRR-IMP-dff87f5e-9
0.508
MAR-TRE-6a44bbf2-26
0.508
MAK-UNK-7c9d1431-8
0.508
MAK-UNK-7c9d1431-22
0.485
PEI-IMP-ca0b2813-1
0.484
DRR-IMP-dff87f5e-6
0.484
MAK-UNK-7c9d1431-17
0.484
MAK-UNK-7c9d1431-6
0.484
MAK-UNK-c74072e5-8
0.484
DRR-IMP-db50bf6e-5
0.484
TAT-ENA-80bfd3e5-43
0.478
MAK-UNK-7c9d1431-19
0.478
MAR-TRE-6a44bbf2-65
0.478
MAK-UNK-7c9d1431-11
0.478
SAD-SAT-3a925b8b-3
0.476
SAD-SAT-3a925b8b-6
0.476
DRR-IMP-dff87f5e-4
0.475
BAP-BUY-55f8bcae-1
0.471
MAK-UNK-7c9d1431-4
0.464
TAT-ENA-80bfd3e5-25
0.464
IND-SYN-6c8299e8-2
0.464
MAK-UNK-7c9d1431-3
0.464
PEI-IMP-ca0b2813-3
0.464
DRR-IMP-dff87f5e-2
0.464
MAK-UNK-d4768348-1
0.460
AAR-POS-0daf6b7e-15
0.460
MAK-UNK-d4768348-4
0.460
MAK-UNK-7c9d1431-7
0.457
MAR-TRE-6a44bbf2-49
0.457
MAR-TRE-6a44bbf2-31
0.457
MAK-UNK-7c9d1431-5
0.457
MAK-UNK-d4768348-5
0.453
MAK-UNK-d4768348-2
0.453
MAK-UNK-d4768348-8
0.453
MAK-UNK-7c9d1431-12
0.453
MAK-UNK-7c9d1431-1
0.451
MAR-TRE-6a44bbf2-38
0.451
MAK-UNK-d4768348-7
0.446
BEN-DND-76ad4ac9-14
0.443
BEN-DND-03406596-3
0.443
KAT-UNK-b2a0d5b1-1
0.441
MAK-UNK-7c9d1431-2
0.438
MAR-TRE-6a44bbf2-36
0.438
AAR-POS-d2a4d1df-22
0.438
LON-WEI-8f408cad-3
0.438
MAR-TRE-6a44bbf2-52
0.438
BEN-DND-03406596-8
0.435
MAR-TRE-6a44bbf2-7
0.435
AAR-POS-d2a4d1df-37
0.435
MAK-UNK-d4768348-9
0.435
SAD-SAT-3a925b8b-7
0.433
MAR-TRE-6a44bbf2-4
0.431
AAR-POS-d2a4d1df-32
0.431
NIM-UNI-05f93fcc-1
0.431
LON-WEI-8f408cad-2
0.431
MAK-UNK-c74072e5-9
0.430
MAR-TRE-6a44bbf2-13
0.426
WAR-XCH-79d12f6e-6
0.426
AAR-POS-d2a4d1df-36
0.426
AAR-POS-0daf6b7e-3
0.426
RHE-UNK-eb059eb9-1
0.426
MAK-UNK-d4768348-3
0.424
MAR-TRE-6a44bbf2-8
0.418
AAR-POS-d2a4d1df-34
0.418
DRR-IMP-dff87f5e-5
0.418
MAK-UNK-7c9d1431-30
0.417
MAR-TRE-6a44bbf2-45
0.417
DRR-IMP-db50bf6e-4
0.408
SWA-SYN-6423ea73-2
0.406
SWA-SYN-d2e6fa14-2
0.406
BEN-DND-76ad4ac9-10
0.405
BEN-DND-03406596-6
0.405
MAR-TRE-6a44bbf2-24
0.403