Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(S(=O)(=O)C2=CCS(O)=C2)CC1 |
MW: | 326.02 |
Fraction sp3: | 0.6 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 77.92 |
cLogP: | 0.14 |
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
0.717
MAK-UNK-d4768348-9
0.655
SAD-SAT-3a925b8b-9
0.561
MAK-UNK-d4768348-1
0.561
MAK-UNK-d4768348-5
0.552
MAK-UNK-d4768348-2
0.525
AAR-POS-d2a4d1df-44
0.517
MAR-LAB-efb042c5-5
0.508
MAR-TRE-6a44bbf2-58
0.508
AAR-POS-d2a4d1df-27
0.508
MAR-TRE-6a44bbf2-68
0.508
KAY-MCD-d0fe5261-1
0.508
PEI-IMP-ca0b2813-2
0.508
MAK-UNK-7c9d1431-9
0.500
MAR-TRE-6a44bbf2-78
0.500
MAK-UNK-7c9d1431-13
0.500
MAR-TRE-6a44bbf2-21
0.500
SAD-SAT-bc31ec01-5
0.492
MAK-UNK-7c9d1431-22
0.484
MAK-UNK-7c9d1431-6
0.484
MAK-UNK-c74072e5-8
0.484
MAK-UNK-7c9d1431-17
0.484
MAK-UNK-d4768348-4
0.483
MAT-POS-ee51dedd-2
0.483
SAD-SAT-3a925b8b-2
0.483
AAR-POS-0daf6b7e-15
0.483
MAR-TRE-6a44bbf2-18
0.468
LON-WEI-8f408cad-4
0.468
AAR-POS-d2a4d1df-23
0.468
MAK-UNK-7c9d1431-8
0.460
PEI-IMP-ca0b2813-1
0.460
MAR-TRE-6a44bbf2-26
0.460
AAR-POS-d2a4d1df-22
0.459
MAR-TRE-6a44bbf2-52
0.459
LON-WEI-8f408cad-3
0.459
MAK-UNK-7c9d1431-19
0.455
ABB-MCD-f8003a30-1
0.453
MAK-UNK-7c9d1431-10
0.453
SAD-SAT-bc31ec01-4
0.453
SAD-SAT-3a925b8b-7
0.453
MAR-TRE-6a44bbf2-32
0.453
SAD-SAT-3a925b8b-6
0.452
LON-WEI-8f408cad-2
0.452
NIM-UNI-05f93fcc-1
0.452
SAD-SAT-3a925b8b-3
0.452
MAK-UNK-7c9d1431-12
0.452
AAR-POS-d2a4d1df-32
0.452
MAR-TRE-6a44bbf2-4
0.452
SAD-SAT-bc31ec01-8
0.449
MAK-UNK-d4768348-3
0.444
AAR-POS-d2a4d1df-34
0.438
MAR-TRE-6a44bbf2-8
0.438
MAR-TRE-6a44bbf2-65
0.433
TAT-ENA-80bfd3e5-43
0.433
MAK-UNK-7c9d1431-11
0.433
AAR-POS-0daf6b7e-3
0.424
WAR-XCH-79d12f6e-6
0.424
MAR-TRE-6a44bbf2-13
0.424
AAR-POS-d2a4d1df-36
0.424
MAR-TRE-6a44bbf2-24
0.422
MAK-UNK-7c9d1431-3
0.420
TAT-ENA-80bfd3e5-25
0.420
PEI-IMP-ca0b2813-3
0.420
MAK-UNK-7c9d1431-4
0.420
IND-SYN-6c8299e8-2
0.420
MAR-TRE-6a44bbf2-31
0.414
MAK-UNK-7c9d1431-5
0.414
MAR-TRE-6a44bbf2-49
0.414
MAR-TRE-6a44bbf2-45
0.414
MAK-UNK-7c9d1431-7
0.414
MAK-UNK-7c9d1431-30
0.414
AAR-POS-d2a4d1df-37
0.412
MAR-TRE-6a44bbf2-7
0.412
NIM-UNI-05f93fcc-2
0.408
MAR-TRE-6a44bbf2-38
0.408
MAK-UNK-7c9d1431-1
0.408
BEN-DND-76ad4ac9-14
0.400
MAK-UNK-7c9d1431-2
0.397
MAR-TRE-6a44bbf2-36
0.397
NIM-UNI-05f93fcc-11
0.394
NIM-UNI-05f93fcc-5
0.392
SAD-SAT-1b030f84-9
0.391
BEN-DND-76ad4ac9-12
0.386
BEN-DND-76ad4ac9-13
0.386
MAR-TRE-6a44bbf2-28
0.385
MAK-UNK-7c9d1431-23
0.385
NIM-UNI-310206f0-69
0.384
NIM-UNI-05f93fcc-14
0.384
SWA-SYN-6423ea73-2
0.382
SWA-SYN-d2e6fa14-2
0.382
BEN-DND-76ad4ac9-11
0.380
NIM-UNI-05f93fcc-3
0.378
NIM-UNI-05f93fcc-13
0.378
MED-COV-4280ac29-5
0.375
NIM-UNI-05f93fcc-7
0.373
SAD-SAT-f2e2579e-5
0.373
NIM-UNI-310206f0-67
0.373
MAK-UNK-7c9d1431-27
0.373
NIM-UNI-310206f0-68
0.372
SWA-SYN-6423ea73-5
0.371