Molecular Properties | |
SMILES: | C#Cc1cncc(Nc2csc(NS(=O)(=O)CCN3CCN(C(=O)CCl)CC3)c2)c1 |
MW: | 468.004 |
Fraction sp3: | 0.37 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 94.64 |
cLogP: | 1.9927 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
triple bond
Hetero_hetero
triple_bond
NIY-UNK-62612a68-5
0.536
STE-KUL-2e0d2e88-3
0.311
NIY-UNK-62612a68-3
0.305
ATU-SYN-3e3fbfe4-1
0.304
STE-KUL-2e0d2e88-1
0.287
MAK-UNK-849bee6c-4
0.278
DAR-DIA-fb20be43-4
0.278
PAU-UNI-52c0427f-1
0.278
DAV-CRI-d1e0885a-4
0.278
BRU-LEF-ae0885ba-1
0.278
DAR-DIA-fb20be43-1
0.275
STU-CHA-464c0256-1
0.274
DAR-DIA-fb20be43-5
0.273
MAK-UNK-e4a48a85-2
0.273
MAK-UNK-15efde89-1
0.270
ASH-SAT-43770c7d-5
0.270
SAD-SAT-5b1897b2-2
0.270
TOB-UNK-c2aba166-1
0.270
DAV-CRI-d1e0885a-5
0.269
TAM-UNI-d1c3dd9f-16
0.269
MAK-UNK-af83ef51-31
0.267
NIY-UNK-62612a68-1
0.267
NIM-UNI-ed9fc491-2
0.265
SAD-SAT-bc31ec01-1
0.265
LON-WEI-8f408cad-5
0.265
AAR-POS-0daf6b7e-17
0.265
PAU-UNI-2d648ace-1
0.263
DRR-IMP-38dce17f-4
0.263
WAR-XCH-bdd24732-26
0.262
PAU-WEI-f734c343-3
0.262
MAK-UNK-e4a48a85-1
0.262
DAV-CRI-d1e0885a-3
0.261
DRR-IMP-38dce17f-6
0.260
TAT-ENA-80bfd3e5-30
0.260
ISA-SCH-8e98219b-3
0.260
DAV-CRI-d1e0885a-1
0.260
BEN-DND-6de5dfa0-16
0.259
NIR-THE-b7e8e081-2
0.259
MAK-UNK-849bee6c-22
0.258
AAR-POS-0daf6b7e-16
0.258
NEH-REV-107bcf72-5
0.257
DAV-CRI-d1e0885a-6
0.257
MED-COV-dea4df70-1
0.257
DAV-CRI-d1e0885a-2
0.257
DAR-DIA-fb20be43-17
0.256
DAR-DIA-fb20be43-18
0.256
LON-WEI-8f408cad-7
0.255
DRR-IMP-38dce17f-1
0.255
AAR-POS-0daf6b7e-13
0.255
MAK-UNK-212f693e-8
0.255
MAR-TRE-6a44bbf2-12
0.255
SWA-SYN-40d44a84-2
0.254
NIY-UNK-62612a68-2
0.254
DRR-IMP-38dce17f-7
0.253
AAR-POS-0daf6b7e-2
0.253
MAK-UNK-6ca90168-14
0.253
MIH-UNI-e573136b-5
0.252
STE-KUL-2e0d2e88-2
0.252
STU-CHA-6d5cfe2b-1
0.252
MAK-UNK-849bee6c-23
0.252
MAK-UNK-af83ef51-24
0.252
MAK-UNK-af83ef51-26
0.252
WAR-XCH-bdd24732-25
0.250
MED-COV-4280ac29-34
0.250
NIM-UNI-310206f0-70
0.250
MAK-UNK-849bee6c-21
0.250
MAR-TRE-6a44bbf2-56
0.250
NEH-REV-107bcf72-3
0.250
MAK-UNK-849bee6c-26
0.250
DAR-DIA-fb20be43-3
0.250
PAU-UNI-b2b6b158-1
0.250
MAK-UNK-10dfa458-44
0.248
MAK-UNK-849bee6c-18
0.248
JOO-PER-d7ab4f65-1
0.248
MAK-UNK-af83ef51-14
0.248
HAR-NEW-e34cb1ae-5
0.248
MAK-UNK-849bee6c-7
0.248
NIM-UNI-05f93fcc-9
0.248
DRR-IMP-38dce17f-8
0.248
MAT-POS-ee51dedd-1
0.248
JAY-UNK-11f5bdbd-1
0.248
JIA-UNI-93b03cae-1
0.248
SAD-SAT-5b1897b2-8
0.248
SAD-SAT-3a925b8b-3
0.248
PAU-UNI-8cdd41c7-1
0.247
MAK-UNK-849bee6c-19
0.246
MAK-UNK-e4a48a85-18
0.246
MAK-UNK-849bee6c-12
0.246
MAK-UNK-849bee6c-16
0.246
TAM-UNI-d1c3dd9f-5
0.246
NIM-UNI-ed9fc491-1
0.246
MAK-UNK-849bee6c-9
0.246
SAD-SAT-581007d4-4
0.245
SAD-SAT-581007d4-3
0.245
NIM-UNI-310206f0-3
0.245
MAK-UNK-212f693e-13
0.245
MAK-UNK-c74072e5-7
0.244
SAD-SAT-5b1897b2-9
0.244
MAK-UNK-10dfa458-43
0.244
MAK-UNK-849bee6c-1
0.244