Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(S(=O)(=O)C2=C(Cl)CC=C2)CC1 |
MW: | 324.01 |
Fraction sp3: | 0.55 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 57.69 |
cLogP: | 1.11 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Hetero_hetero
AAR-POS-d2a4d1df-27
SAD-SAT-3a925b8b-9
0.534
DRR-IMP-dff87f5e-4
0.500
SAD-SAT-3a925b8b-7
0.500
DRR-IMP-dff87f5e-3
0.492
AAR-POS-d2a4d1df-44
0.492
SAD-SAT-bc31ec01-5
0.492
DRR-IMP-dff87f5e-1
0.483
DRR-IMP-db50bf6e-5
0.483
MAR-TRE-6a44bbf2-58
0.483
KAY-MCD-d0fe5261-1
0.483
AAR-POS-0daf6b7e-15
0.483
MAK-UNK-7c9d1431-10
0.476
SAD-SAT-bc31ec01-4
0.476
LON-WEI-8f408cad-2
0.475
MAR-TRE-6a44bbf2-4
0.475
JAY-UNK-11f5bdbd-1
0.475
AAR-POS-d2a4d1df-32
0.475
MAK-UNK-7c9d1431-12
0.475
SAD-SAT-3a925b8b-3
0.475
MAK-UNK-d4768348-5
0.475
MAK-UNK-7c9d1431-9
0.475
MAR-TRE-6a44bbf2-21
0.475
LON-WEI-8f408cad-4
0.468
AAR-POS-d2a4d1df-23
0.468
BEN-DND-03406596-10
0.468
MAR-TRE-6a44bbf2-18
0.468
MAK-UNK-7c9d1431-22
0.462
DRR-IMP-dff87f5e-5
0.460
AAR-POS-d2a4d1df-34
0.460
DRR-IMP-dff87f5e-6
0.460
MAR-TRE-6a44bbf2-8
0.460
MAR-TRE-6a44bbf2-52
0.459
DRR-IMP-dff87f5e-7
0.459
MAR-LAB-efb042c5-5
0.459
LON-WEI-8f408cad-3
0.459
AAR-POS-d2a4d1df-22
0.459
MAR-TRE-6a44bbf2-68
0.459
MAK-UNK-d4768348-4
0.459
MAT-POS-ee51dedd-2
0.459
AAR-POS-d2a4d1df-27
0.459
PEI-IMP-ca0b2813-2
0.459
SAD-SAT-3a925b8b-2
0.459
MAK-UNK-d4768348-1
0.459
DRR-IMP-dff87f5e-8
0.453
MAR-TRE-6a44bbf2-32
0.453
ABB-MCD-f8003a30-1
0.453
MAK-UNK-d4768348-8
0.452
NIM-UNI-05f93fcc-1
0.452
MAR-TRE-6a44bbf2-78
0.452
MAK-UNK-7c9d1431-13
0.452
MAK-UNK-d4768348-2
0.452
MAK-UNK-d4768348-3
0.444
MAK-UNK-d4768348-7
0.444
KAT-UNK-b2a0d5b1-1
0.439
MAK-UNK-7c9d1431-8
0.438
PEI-IMP-ca0b2813-1
0.438
MAK-UNK-7c9d1431-6
0.438
DRR-IMP-dff87f5e-9
0.438
MAR-TRE-6a44bbf2-26
0.438
MAK-UNK-7c9d1431-17
0.438
MAK-UNK-c74072e5-8
0.438
MAK-UNK-d4768348-9
0.433
BEN-DND-03406596-8
0.433
BAP-BUY-55f8bcae-1
0.426
DRR-IMP-db50bf6e-4
0.426
BEN-DND-03406596-2
0.426
BEN-DND-76ad4ac9-12
0.426
WAR-XCH-79d12f6e-6
0.424
MAR-TRE-6a44bbf2-13
0.424
AAR-POS-0daf6b7e-3
0.424
AAR-POS-d2a4d1df-36
0.424
RHE-UNK-eb059eb9-1
0.424
MAR-TRE-6a44bbf2-24
0.422
IND-SYN-6c8299e8-2
0.420
BEN-DND-03406596-9
0.420
BEN-DND-76ad4ac9-11
0.420
BEN-DND-76ad4ac9-14
0.420
BEN-DND-03406596-3
0.420
MAK-UNK-7c9d1431-19
0.412
AAR-POS-d2a4d1df-37
0.412
MAR-TRE-6a44bbf2-65
0.412
MAR-TRE-6a44bbf2-7
0.412
MAK-UNK-7c9d1431-11
0.412
TAT-ENA-80bfd3e5-43
0.412
NIM-UNI-05f93fcc-5
0.411
SAD-SAT-bc31ec01-8
0.408
BEN-DND-03406596-5
0.406
BEN-DND-76ad4ac9-13
0.406
BEN-DND-03406596-6
0.403
BEN-DND-76ad4ac9-10
0.403
PEI-IMP-ca0b2813-3
0.400
KAT-MCD-525c981a-1
0.400
TAT-ENA-80bfd3e5-25
0.400
MAK-UNK-7c9d1431-4
0.400
KAI-MCD-cb49037b-1
0.400
KAT-UNK-48001bce-1
0.400
DRR-IMP-dff87f5e-2
0.400
MAK-UNK-7c9d1431-3
0.400
NIM-UNI-05f93fcc-3
0.397
MAK-UNK-7c9d1431-30
0.394