Molecular Properties | |
SMILES: | COS1=CC(S(=O)(=O)N2CCN(C(=O)CCl)CC2)=CC1 |
MW: | 340.03 |
Fraction sp3: | 0.64 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 66.92 |
cLogP: | 0.23 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
hyperval_sulfur
Thiocarbonyl group
Activated double bonds (3)
Filter88_ene_sulfone
Hetero_hetero
Thiocarbonyl_group
LON-WEI-8f408cad-3
MAK-UNK-d4768348-7
0.672
MAK-UNK-d4768348-8
0.655
MAK-UNK-d4768348-1
0.508
SAD-SAT-3a925b8b-9
0.508
MAK-UNK-7c9d1431-17
0.508
MAK-UNK-d4768348-5
0.500
AAR-POS-d2a4d1df-27
0.484
MAR-TRE-6a44bbf2-68
0.484
MAR-LAB-efb042c5-5
0.484
MAK-UNK-7c9d1431-19
0.478
MAK-UNK-d4768348-2
0.477
MAK-UNK-7c9d1431-13
0.477
MAR-TRE-6a44bbf2-78
0.477
AAR-POS-d2a4d1df-44
0.469
MAK-UNK-7c9d1431-22
0.464
KAY-MCD-d0fe5261-1
0.462
PEI-IMP-ca0b2813-2
0.462
MAR-TRE-6a44bbf2-58
0.462
MAK-UNK-7c9d1431-9
0.453
MAR-TRE-6a44bbf2-21
0.453
SAD-SAT-bc31ec01-5
0.446
PEI-IMP-ca0b2813-3
0.444
MAK-UNK-7c9d1431-8
0.441
MAK-UNK-c74072e5-8
0.441
MAR-TRE-6a44bbf2-26
0.441
MAK-UNK-7c9d1431-6
0.441
LON-WEI-8f408cad-3
0.439
AAR-POS-0daf6b7e-15
0.439
MAK-UNK-d4768348-4
0.439
MAR-TRE-6a44bbf2-52
0.439
AAR-POS-d2a4d1df-22
0.439
MAT-POS-ee51dedd-2
0.439
SAD-SAT-3a925b8b-2
0.439
MAK-UNK-7c9d1431-30
0.438
MAR-TRE-6a44bbf2-45
0.438
MAR-TRE-6a44bbf2-32
0.435
SAD-SAT-bc31ec01-4
0.435
ABB-MCD-f8003a30-1
0.435
SAD-SAT-3a925b8b-6
0.433
SAD-SAT-bc31ec01-8
0.432
LON-WEI-8f408cad-4
0.426
AAR-POS-d2a4d1df-23
0.426
MAR-TRE-6a44bbf2-18
0.426
PEI-IMP-ca0b2813-1
0.420
MAR-TRE-6a44bbf2-65
0.417
TAT-ENA-80bfd3e5-43
0.417
MAK-UNK-7c9d1431-11
0.417
MAK-UNK-7c9d1431-10
0.414
SAD-SAT-3a925b8b-7
0.414
MAR-TRE-6a44bbf2-4
0.412
NIM-UNI-05f93fcc-1
0.412
SAD-SAT-3a925b8b-3
0.412
AAR-POS-d2a4d1df-32
0.412
LON-WEI-8f408cad-2
0.412
MAK-UNK-7c9d1431-12
0.412
AAR-POS-0daf6b7e-3
0.408
MAR-TRE-6a44bbf2-13
0.408
WAR-XCH-79d12f6e-6
0.408
AAR-POS-d2a4d1df-36
0.408
MAK-UNK-d4768348-3
0.406
MAR-TRE-6a44bbf2-24
0.406
AAR-POS-d2a4d1df-34
0.400
MAR-TRE-6a44bbf2-8
0.400
NIM-UNI-05f93fcc-15
0.388
IND-SYN-6c8299e8-2
0.387
MAK-UNK-7c9d1431-3
0.387
TAT-ENA-80bfd3e5-25
0.387
MAK-UNK-7c9d1431-4
0.387
NIM-UNI-05f93fcc-11
0.382
MAR-TRE-6a44bbf2-31
0.382
MAK-UNK-7c9d1431-7
0.382
MAK-UNK-7c9d1431-5
0.382
MAR-TRE-6a44bbf2-49
0.382
AAR-POS-d2a4d1df-37
0.378
MAR-TRE-6a44bbf2-7
0.378
NIM-UNI-310206f0-68
0.378
NIM-UNI-05f93fcc-2
0.377
MAK-UNK-7c9d1431-1
0.377
MAR-TRE-6a44bbf2-38
0.377
BEN-DND-76ad4ac9-13
0.373
BEN-DND-76ad4ac9-14
0.368
MAR-TRE-6a44bbf2-36
0.367
MAK-UNK-7c9d1431-2
0.367
NIM-UNI-05f93fcc-7
0.362
SWA-SYN-d2e6fa14-5
0.358
SWA-SYN-6423ea73-5
0.358
NIM-UNI-310206f0-71
0.358
NIM-UNI-05f93fcc-17
0.358
BEN-DND-76ad4ac9-12
0.355
NIM-UNI-310206f0-69
0.354
NIM-UNI-05f93fcc-14
0.354
NIM-UNI-05f93fcc-6
0.354
PEI-IMP-ca0b2813-4
0.354
MAK-UNK-7c9d1431-23
0.352
MAR-TRE-6a44bbf2-28
0.352
SWA-SYN-6423ea73-2
0.351
SWA-SYN-d2e6fa14-2
0.351
BEN-DND-76ad4ac9-11
0.351
NIM-UNI-05f93fcc-3
0.350
NIM-UNI-05f93fcc-13
0.350