Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(S(=O)(=O)C2=NC[SH]=C2)CC1 |
MW: | 311.02 |
Fraction sp3: | 0.67 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 70.05 |
cLogP: | -0.66 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Thiocarbonyl group
thiols
thiol
Hetero_hetero
Thiocarbonyl_group
LON-WEI-8f408cad-3
MAK-UNK-d4768348-1
0.525
MAK-UNK-d4768348-2
0.517
PEI-IMP-ca0b2813-2
0.500
MAK-UNK-d4768348-4
0.500
SAD-SAT-3a925b8b-7
0.492
PEI-IMP-ca0b2813-1
0.476
SAD-SAT-3a925b8b-2
0.475
AAR-POS-0daf6b7e-15
0.475
DRR-IMP-dff87f5e-7
0.475
MAK-UNK-d4768348-5
0.468
JAY-UNK-11f5bdbd-1
0.468
SAD-SAT-3a925b8b-3
0.468
MAK-UNK-7c9d1431-9
0.467
MAR-TRE-6a44bbf2-21
0.467
DRR-IMP-dff87f5e-4
0.467
AAR-POS-d2a4d1df-44
0.459
DRR-IMP-dff87f5e-3
0.459
SAD-SAT-bc31ec01-5
0.459
DRR-IMP-dff87f5e-9
0.453
AAR-POS-d2a4d1df-27
0.452
KAY-MCD-d0fe5261-1
0.452
AAR-POS-d2a4d1df-22
0.452
MAR-TRE-6a44bbf2-52
0.452
LON-WEI-8f408cad-3
0.452
DRR-IMP-dff87f5e-1
0.452
MAR-LAB-efb042c5-5
0.452
MAR-TRE-6a44bbf2-68
0.452
DRR-IMP-db50bf6e-5
0.452
MAT-POS-ee51dedd-2
0.452
MAR-TRE-6a44bbf2-58
0.452
SAD-SAT-3a925b8b-9
0.452
AAR-POS-d2a4d1df-32
0.444
MAR-TRE-6a44bbf2-4
0.444
MAR-TRE-6a44bbf2-78
0.444
NIM-UNI-05f93fcc-1
0.444
SAD-SAT-3a925b8b-6
0.444
MAK-UNK-d4768348-8
0.444
MAK-UNK-7c9d1431-12
0.444
MAK-UNK-7c9d1431-13
0.444
LON-WEI-8f408cad-2
0.444
BEN-DND-03406596-10
0.438
MAR-TRE-6a44bbf2-24
0.438
LON-WEI-8f408cad-4
0.438
AAR-POS-d2a4d1df-23
0.438
MAK-UNK-d4768348-7
0.438
MAR-TRE-6a44bbf2-18
0.438
MAK-UNK-7c9d1431-8
0.431
DRR-IMP-dff87f5e-5
0.431
MAR-TRE-6a44bbf2-8
0.431
AAR-POS-d2a4d1df-34
0.431
MAK-UNK-7c9d1431-6
0.431
MAR-TRE-6a44bbf2-26
0.431
MAK-UNK-7c9d1431-17
0.431
DRR-IMP-dff87f5e-6
0.431
MAK-UNK-c74072e5-8
0.431
MAK-UNK-7c9d1431-19
0.426
ABB-MCD-f8003a30-1
0.424
MAR-TRE-6a44bbf2-32
0.424
SAD-SAT-bc31ec01-4
0.424
MAK-UNK-7c9d1431-10
0.424
DRR-IMP-dff87f5e-8
0.424
MAR-TRE-6a44bbf2-13
0.418
RHE-UNK-eb059eb9-1
0.418
AAR-POS-0daf6b7e-3
0.418
AAR-POS-d2a4d1df-36
0.418
WAR-XCH-79d12f6e-6
0.418
IND-SYN-6c8299e8-2
0.414
KAT-UNK-b2a0d5b1-1
0.412
MAK-UNK-7c9d1431-22
0.412
NIM-UNI-05f93fcc-13
0.411
MAK-UNK-7c9d1431-30
0.408
MAR-TRE-6a44bbf2-45
0.408
MAR-TRE-6a44bbf2-65
0.406
MAK-UNK-d4768348-9
0.406
MAR-TRE-6a44bbf2-7
0.406
MAK-UNK-7c9d1431-11
0.406
TAT-ENA-80bfd3e5-43
0.406
AAR-POS-d2a4d1df-37
0.406
MAK-UNK-7c9d1431-1
0.403
MAR-TRE-6a44bbf2-38
0.403
NIM-UNI-05f93fcc-2
0.403
NIM-UNI-05f93fcc-17
0.400
BAP-BUY-55f8bcae-1
0.400
NIM-UNI-310206f0-71
0.400
DRR-IMP-db50bf6e-4
0.400
NIM-UNI-310206f0-69
0.397
NIM-UNI-05f93fcc-14
0.397
NIM-UNI-05f93fcc-9
0.395
TAT-ENA-80bfd3e5-25
0.394
DRR-IMP-dff87f5e-2
0.394
MAK-UNK-7c9d1431-3
0.394
MAK-UNK-7c9d1431-4
0.394
PEI-IMP-ca0b2813-3
0.394
MAK-UNK-7c9d1431-2
0.392
MAR-TRE-6a44bbf2-36
0.392
MAR-TRE-6a44bbf2-31
0.389
MAK-UNK-7c9d1431-5
0.389
NIM-UNI-05f93fcc-11
0.389
MAK-UNK-7c9d1431-7
0.389
MAR-TRE-6a44bbf2-49
0.389