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
SAD-SAT-3a925b8b-7
0.500
AAR-POS-d2a4d1df-44
0.492
SAD-SAT-bc31ec01-5
0.492
MAR-TRE-6a44bbf2-58
0.483
AAR-POS-0daf6b7e-15
0.483
KAY-MCD-d0fe5261-1
0.483
MAK-UNK-7c9d1431-10
0.476
SAD-SAT-bc31ec01-4
0.476
AAR-POS-d2a4d1df-32
0.475
LON-WEI-8f408cad-2
0.475
MAR-TRE-6a44bbf2-4
0.475
MAK-UNK-7c9d1431-12
0.475
MAK-UNK-d4768348-5
0.475
SAD-SAT-3a925b8b-3
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
MAR-TRE-6a44bbf2-18
0.468
MAK-UNK-7c9d1431-22
0.462
AAR-POS-d2a4d1df-34
0.460
MAR-TRE-6a44bbf2-8
0.460
LON-WEI-8f408cad-3
0.459
MAR-LAB-efb042c5-5
0.459
AAR-POS-d2a4d1df-27
0.459
MAT-POS-ee51dedd-2
0.459
MAR-TRE-6a44bbf2-68
0.459
MAK-UNK-d4768348-1
0.459
MAK-UNK-d4768348-4
0.459
MAR-TRE-6a44bbf2-52
0.459
AAR-POS-d2a4d1df-22
0.459
PEI-IMP-ca0b2813-2
0.459
SAD-SAT-3a925b8b-2
0.459
MAR-TRE-6a44bbf2-32
0.453
ABB-MCD-f8003a30-1
0.453
NIM-UNI-05f93fcc-1
0.452
MAK-UNK-d4768348-8
0.452
MAR-TRE-6a44bbf2-78
0.452
MAK-UNK-7c9d1431-13
0.452
MAK-UNK-d4768348-2
0.452
MAK-UNK-d4768348-7
0.444
MAK-UNK-d4768348-3
0.444
MAK-UNK-7c9d1431-8
0.438
MAK-UNK-7c9d1431-17
0.438
MAK-UNK-c74072e5-8
0.438
PEI-IMP-ca0b2813-1
0.438
MAK-UNK-7c9d1431-6
0.438
MAR-TRE-6a44bbf2-26
0.438
MAK-UNK-d4768348-9
0.433
BEN-DND-76ad4ac9-12
0.426
AAR-POS-0daf6b7e-3
0.424
MAR-TRE-6a44bbf2-13
0.424
AAR-POS-d2a4d1df-36
0.424
WAR-XCH-79d12f6e-6
0.424
MAR-TRE-6a44bbf2-24
0.422
IND-SYN-6c8299e8-2
0.420
BEN-DND-76ad4ac9-11
0.420
BEN-DND-76ad4ac9-14
0.420
MAR-TRE-6a44bbf2-7
0.412
MAR-TRE-6a44bbf2-65
0.412
MAK-UNK-7c9d1431-19
0.412
AAR-POS-d2a4d1df-37
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-76ad4ac9-13
0.406
BEN-DND-76ad4ac9-10
0.403
MAK-UNK-7c9d1431-3
0.400
PEI-IMP-ca0b2813-3
0.400
MAK-UNK-7c9d1431-4
0.400
TAT-ENA-80bfd3e5-25
0.400
NIM-UNI-05f93fcc-3
0.397
NIM-UNI-05f93fcc-11
0.394
MAR-TRE-6a44bbf2-31
0.394
MAR-TRE-6a44bbf2-49
0.394
MAK-UNK-7c9d1431-7
0.394
MAK-UNK-7c9d1431-5
0.394
MAK-UNK-7c9d1431-30
0.394
MAR-TRE-6a44bbf2-45
0.394
NIM-UNI-310206f0-67
0.392
SAD-SAT-1b030f84-9
0.391
MAR-TRE-6a44bbf2-38
0.389
MAK-UNK-7c9d1431-1
0.389
NIM-UNI-05f93fcc-2
0.389
MAR-TRE-6a44bbf2-28
0.385
MAK-UNK-7c9d1431-23
0.385
NIM-UNI-05f93fcc-14
0.384
NIM-UNI-310206f0-69
0.384
SWA-SYN-d2e6fa14-2
0.382
SWA-SYN-6423ea73-2
0.382
NIM-UNI-05f93fcc-10
0.382
SAD-SAT-bc31ec01-10
0.380
MAK-UNK-7c9d1431-2
0.378
NIM-UNI-05f93fcc-13
0.378
MAR-TRE-6a44bbf2-36
0.378
NIM-UNI-05f93fcc-7
0.373
MAK-UNK-7c9d1431-27
0.373
NIM-UNI-310206f0-68
0.372