Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(S(=O)(=O)C2=C3CC3[SH]=C2)CC1 |
MW: | 322.02 |
Fraction sp3: | 0.64 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 57.69 |
cLogP: | 0.01 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Thiocarbonyl group
thiols
thiol
Hetero_hetero
Thiocarbonyl_group
AAR-POS-d2a4d1df-27
MAK-UNK-d4768348-1
0.508
MAK-UNK-d4768348-2
0.500
SAD-SAT-3a925b8b-6
0.500
MAK-UNK-d4768348-3
0.492
MAK-UNK-d4768348-4
0.484
AAR-POS-0daf6b7e-15
0.484
MAK-UNK-d4768348-5
0.476
DRR-IMP-dff87f5e-3
0.468
AAR-POS-d2a4d1df-44
0.468
SAD-SAT-3a925b8b-9
0.460
PEI-IMP-ca0b2813-2
0.460
MAK-UNK-d4768348-8
0.453
JAY-UNK-11f5bdbd-1
0.453
SAD-SAT-3a925b8b-3
0.453
MAK-UNK-7c9d1431-9
0.452
MAR-TRE-6a44bbf2-21
0.452
DRR-IMP-dff87f5e-4
0.452
MAK-UNK-d4768348-7
0.446
SAD-SAT-bc31ec01-5
0.444
MAK-UNK-c74072e5-8
0.439
PEI-IMP-ca0b2813-1
0.439
KAY-MCD-d0fe5261-1
0.438
MAR-TRE-6a44bbf2-68
0.438
SAD-SAT-3a925b8b-2
0.438
MAR-LAB-efb042c5-5
0.438
MAT-POS-ee51dedd-2
0.438
DRR-IMP-db50bf6e-5
0.438
AAR-POS-d2a4d1df-22
0.438
DRR-IMP-dff87f5e-7
0.438
AAR-POS-d2a4d1df-27
0.438
MAR-TRE-6a44bbf2-52
0.438
LON-WEI-8f408cad-3
0.438
DRR-IMP-dff87f5e-1
0.438
MAR-TRE-6a44bbf2-58
0.438
SAD-SAT-bc31ec01-4
0.433
NIM-UNI-05f93fcc-1
0.431
MAR-TRE-6a44bbf2-78
0.431
MAK-UNK-7c9d1431-12
0.431
MAK-UNK-7c9d1431-13
0.431
AAR-POS-d2a4d1df-32
0.431
LON-WEI-8f408cad-2
0.431
MAR-TRE-6a44bbf2-4
0.431
DRR-IMP-db50bf6e-4
0.429
WAR-XCH-79d12f6e-6
0.426
RHE-UNK-eb059eb9-1
0.426
AAR-POS-0daf6b7e-3
0.426
MAR-TRE-6a44bbf2-13
0.426
AAR-POS-d2a4d1df-36
0.426
BEN-DND-03406596-10
0.424
AAR-POS-d2a4d1df-23
0.424
LON-WEI-8f408cad-4
0.424
MAR-TRE-6a44bbf2-18
0.424
MAR-TRE-6a44bbf2-24
0.424
MAR-TRE-6a44bbf2-8
0.418
DRR-IMP-dff87f5e-5
0.418
AAR-POS-d2a4d1df-34
0.418
MAK-UNK-7c9d1431-6
0.418
MAK-UNK-7c9d1431-17
0.418
DRR-IMP-dff87f5e-6
0.418
DRR-IMP-dff87f5e-9
0.418
MAK-UNK-7c9d1431-8
0.418
MAR-TRE-6a44bbf2-26
0.418
MAK-UNK-7c9d1431-7
0.417
MAR-TRE-6a44bbf2-49
0.417
MAK-UNK-d4768348-9
0.414
MAK-UNK-7c9d1431-19
0.414
MAK-UNK-7c9d1431-10
0.412
DRR-IMP-dff87f5e-8
0.412
MAR-TRE-6a44bbf2-32
0.412
ABB-MCD-f8003a30-1
0.412
SAD-SAT-bc31ec01-8
0.411
NIM-UNI-310206f0-71
0.408
NIM-UNI-05f93fcc-14
0.405
NIM-UNI-310206f0-69
0.405
MAK-UNK-7c9d1431-4
0.403
TAT-ENA-80bfd3e5-25
0.403
NIM-UNI-05f93fcc-13
0.400
MAK-UNK-7c9d1431-22
0.400
KAT-UNK-b2a0d5b1-1
0.400
MAR-TRE-6a44bbf2-31
0.397
MAK-UNK-7c9d1431-30
0.397
NIM-UNI-05f93fcc-11
0.397
MAR-TRE-6a44bbf2-45
0.397
MAK-UNK-7c9d1431-5
0.397
NIM-UNI-05f93fcc-5
0.395
NIM-UNI-310206f0-67
0.395
AAR-POS-d2a4d1df-37
0.394
MAR-TRE-6a44bbf2-7
0.394
TAT-ENA-80bfd3e5-43
0.394
MAR-TRE-6a44bbf2-65
0.394
MAK-UNK-7c9d1431-11
0.394
NIM-UNI-05f93fcc-2
0.392
NIM-UNI-05f93fcc-17
0.390
SAD-SAT-f2e2579e-3
0.390
BAP-BUY-55f8bcae-1
0.389
MAR-TRE-6a44bbf2-28
0.388
MAK-UNK-7c9d1431-23
0.388
NIM-UNI-05f93fcc-9
0.385
NIM-UNI-05f93fcc-6
0.385
PEI-IMP-ca0b2813-3
0.384