Molecular Properties | |
SMILES: | O=C(CCl)N1CCC(S(=O)(=O)C2=CC[SH]=C2)CC1 |
MW: | 309.03 |
Fraction sp3: | 0.64 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 54.45 |
cLogP: | 0.8 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Thiocarbonyl group
Activated double bonds (3)
Filter88_ene_sulfone
thiols
thiol
Thiocarbonyl_group
LON-WEI-8f408cad-3
MAK-UNK-d4768348-1
0.517
MAK-UNK-987948f6-15
0.492
BEN-DND-76ad4ac9-7
0.455
SAD-SAT-3a925b8b-1
0.419
SAD-SAT-89668ff1-9
0.395
SAD-SAT-3a925b8b-8
0.380
SAD-SAT-d8079f6f-4
0.370
WAR-XCH-79d12f6e-4
0.352
MAK-UNK-750cfbcc-1
0.351
MAK-UNK-6c8f5f75-1
0.351
MAK-UNK-750cfbcc-2
0.350
SAD-SAT-f2e2579e-5
0.346
MAK-UNK-750cfbcc-3
0.344
MAR-TRE-6a44bbf2-79
0.344
MAK-UNK-23561bf6-1
0.344
SAD-SAT-f2e2579e-3
0.342
MAK-UNK-d4768348-4
0.338
SAD-SAT-3a925b8b-7
0.338
MAK-UNK-d4768348-2
0.333
AAR-POS-0daf6b7e-9
0.333
MAK-UNK-704ed37c-4
0.333
VIR-GIT-7b3d3065-2
0.333
MAK-UNK-750cfbcc-5
0.333
DUN-NEW-f8ce3686-25
0.329
MAK-UNK-d4768348-3
0.329
MAR-TRE-6a44bbf2-86
0.329
LON-WEI-120e5cf5-15
0.329
MAK-UNK-704ed37c-7
0.328
WAR-XCH-b0339bbe-18
0.328
SAD-SAT-9a6c5cf3-1
0.326
SAD-SAT-29425be4-6
0.325
MAK-UNK-c74072e5-8
0.324
MAK-UNK-7c9d1431-8
0.324
LON-WEI-120e5cf5-20
0.324
MAR-TRE-6a44bbf2-26
0.324
MAK-UNK-10dfa458-6
0.324
MAK-UNK-6ca90168-11
0.324
SAD-SAT-bc31ec01-5
0.324
AAR-POS-0daf6b7e-19
0.323
VIR-GIT-7b3d3065-3
0.323
DRR-IMP-11d47bff-1
0.323
SAD-SAT-5b1897b2-9
0.322
SAD-SAT-9a6c5cf3-5
0.321
LON-WEI-120e5cf5-11
0.320
SAD-SAT-1b030f84-9
0.320
SAD-SAT-3a925b8b-2
0.319
SAD-SAT-3a925b8b-9
0.319
MAK-UNK-10dfa458-30
0.319
AAR-POS-0daf6b7e-15
0.319
MAT-POS-ee51dedd-2
0.319
MAK-UNK-704ed37c-1
0.318
SAD-SAT-9a6c5cf3-7
0.318
SAD-SAT-f2e2579e-10
0.317
LON-WEI-120e5cf5-3
0.316
LON-WEI-120e5cf5-10
0.315
MAK-UNK-d4768348-5
0.314
NIM-UNI-43fe0159-5
0.314
JIA-UNI-93b03cae-1
0.314
MAK-UNK-212f693e-32
0.314
MAK-UNK-d4768348-8
0.314
AAR-POS-0daf6b7e-5
0.314
MAK-UNK-704ed37c-3
0.313
MAK-UNK-704ed37c-16
0.311
NIR-THE-0d6461ce-1
0.311
MAK-UNK-212f693e-13
0.310
BEN-DND-03406596-10
0.310
LON-WEI-8f408cad-4
0.310
AAR-POS-d2a4d1df-23
0.310
MAR-TRE-6a44bbf2-18
0.310
MAK-UNK-d4768348-7
0.310
MAK-UNK-212f693e-10
0.310
DRR-IMP-dff87f5e-4
0.309
MAK-UNK-7c9d1431-9
0.309
MAR-TRE-6a44bbf2-21
0.309
MAK-UNK-6ca90168-22
0.307
LON-WEI-120e5cf5-16
0.307
MAR-TRE-6a44bbf2-9
0.307
MAK-UNK-7c9d1431-19
0.307
MAK-UNK-c97f7c8f-1
0.307
SAD-SAT-9a6c5cf3-2
0.306
GIA-UNK-a79af1bc-1
0.306
LON-WEI-120e5cf5-5
0.306
MAK-UNK-7c9d1431-6
0.306
MAK-UNK-704ed37c-12
0.305
NIM-UNI-310206f0-25
0.305
JON-UIO-066ce08b-5
0.304
AAR-POS-d2a4d1df-44
0.304
DRR-IMP-dff87f5e-3
0.304
ASH-SAT-43770c7d-10
0.304
LON-WEI-120e5cf5-1
0.304
AAR-POS-f650c5f2-4
0.304
AAR-POS-5507155c-2
0.304
LON-WEI-120e5cf5-17
0.304
SAD-SAT-f2e2579e-4
0.302
SAD-SAT-9a6c5cf3-9
0.302
STU-CHA-09bcc2f6-1
0.302
MAK-UNK-4b073b5c-16
0.302
BEN-DND-76ad4ac9-4
0.301
SAD-SAT-9a6c5cf3-10
0.301
AAR-POS-d2a4d1df-27
0.300