Molecular Properties | |
SMILES: | CS1=CC(S(=O)(=O)N2CCN(C(=O)CCl)CC2)=CC1 |
MW: | 324.04 |
Fraction sp3: | 0.64 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 57.69 |
cLogP: | 0.3 |
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-d4768348-8
0.717
MAK-UNK-d4768348-9
0.672
MAK-UNK-d4768348-5
0.569
SAD-SAT-3a925b8b-9
0.552
MAK-UNK-d4768348-1
0.552
DRR-IMP-dff87f5e-1
0.525
MAR-LAB-efb042c5-5
0.525
AAR-POS-d2a4d1df-27
0.525
KAY-MCD-d0fe5261-1
0.525
MAR-TRE-6a44bbf2-68
0.525
MAR-TRE-6a44bbf2-58
0.525
MAK-UNK-7c9d1431-17
0.525
MAK-UNK-7c9d1431-13
0.517
MAK-UNK-d4768348-2
0.517
MAR-TRE-6a44bbf2-78
0.517
AAR-POS-d2a4d1df-44
0.508
DRR-IMP-dff87f5e-3
0.508
DRR-IMP-dff87f5e-7
0.500
SAD-SAT-3a925b8b-2
0.500
PEI-IMP-ca0b2813-2
0.500
MAK-UNK-7c9d1431-22
0.500
MAK-UNK-7c9d1431-9
0.492
MAR-TRE-6a44bbf2-21
0.492
SAD-SAT-bc31ec01-5
0.483
DRR-IMP-dff87f5e-6
0.476
DRR-IMP-dff87f5e-9
0.476
MAR-TRE-6a44bbf2-26
0.476
MAK-UNK-c74072e5-8
0.476
MAK-UNK-7c9d1431-6
0.476
MAK-UNK-7c9d1431-8
0.476
MAT-POS-ee51dedd-2
0.475
AAR-POS-0daf6b7e-15
0.475
MAK-UNK-d4768348-4
0.475
MAK-UNK-7c9d1431-19
0.470
MAR-TRE-6a44bbf2-32
0.469
ABB-MCD-f8003a30-1
0.469
MAK-UNK-7c9d1431-12
0.468
JAY-UNK-11f5bdbd-1
0.468
NIM-UNI-05f93fcc-1
0.468
DRR-IMP-dff87f5e-4
0.467
SAD-SAT-bc31ec01-8
0.464
BAP-BUY-55f8bcae-1
0.463
BEN-DND-03406596-10
0.460
LON-WEI-8f408cad-4
0.460
AAR-POS-d2a4d1df-23
0.460
MAR-TRE-6a44bbf2-18
0.460
PEI-IMP-ca0b2813-3
0.456
PEI-IMP-ca0b2813-1
0.453
MAR-TRE-6a44bbf2-52
0.452
AAR-POS-d2a4d1df-22
0.452
LON-WEI-8f408cad-3
0.452
DRR-IMP-db50bf6e-5
0.452
MAK-UNK-7c9d1431-30
0.449
MAR-TRE-6a44bbf2-45
0.449
BEN-DND-03406596-8
0.448
MAK-UNK-7c9d1431-11
0.448
TAT-ENA-80bfd3e5-43
0.448
MAR-TRE-6a44bbf2-65
0.448
SAD-SAT-3a925b8b-7
0.446
DRR-IMP-dff87f5e-8
0.446
MAK-UNK-7c9d1431-10
0.446
SAD-SAT-bc31ec01-4
0.446
SAD-SAT-3a925b8b-6
0.444
SAD-SAT-3a925b8b-3
0.444
AAR-POS-d2a4d1df-32
0.444
MAR-TRE-6a44bbf2-4
0.444
LON-WEI-8f408cad-2
0.444
RHE-UNK-eb059eb9-1
0.439
MAR-TRE-6a44bbf2-13
0.439
AAR-POS-0daf6b7e-3
0.439
WAR-XCH-79d12f6e-6
0.439
AAR-POS-d2a4d1df-36
0.439
MAR-TRE-6a44bbf2-24
0.438
MAK-UNK-d4768348-3
0.438
IND-SYN-6c8299e8-2
0.435
DRR-IMP-dff87f5e-2
0.435
MAK-UNK-7c9d1431-3
0.435
DRR-IMP-dff87f5e-5
0.431
MAR-TRE-6a44bbf2-8
0.431
AAR-POS-d2a4d1df-34
0.431
MAK-UNK-7c9d1431-1
0.423
MAR-TRE-6a44bbf2-38
0.423
TAT-ENA-80bfd3e5-25
0.414
MAK-UNK-7c9d1431-4
0.414
KAT-UNK-b2a0d5b1-1
0.412
MAR-TRE-6a44bbf2-36
0.411
MAK-UNK-7c9d1431-2
0.411
MAK-UNK-7c9d1431-5
0.408
MAK-UNK-7c9d1431-7
0.408
MAR-TRE-6a44bbf2-49
0.408
MAR-TRE-6a44bbf2-31
0.408
NIM-UNI-05f93fcc-11
0.408
MAR-TRE-6a44bbf2-7
0.406
AAR-POS-d2a4d1df-37
0.406
DRR-IMP-db50bf6e-4
0.400
NIM-UNI-05f93fcc-15
0.395
BEN-DND-03406596-3
0.394
BEN-DND-76ad4ac9-14
0.394
DRR-IMP-11d47bff-1
0.393
PEI-IMP-668afc53-1
0.390