Molecular Properties | |
SMILES: | C=CC(=O)N1CSC1 |
MW: | 129.02 |
Fraction sp3: | 0.4 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 1 |
TPSA: | 20.31 |
cLogP: | 0.66 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
SAD-SAT-6b5a89f0-9
0.500
MAK-UNK-95198336-6
0.379
MAK-UNK-6ca90168-16
0.361
AHN-SAT-02ef6d10-7
0.342
TOB-UNK-c2aba166-2
0.333
MAK-UNK-10dfa458-4
0.306
BEN-DND-03ad4429-7
0.306
MAK-UNK-6ca90168-21
0.304
JOH-UNI-27ac80fd-26
0.304
JOH-UNI-e19b918c-5
0.302
MAK-UNK-10dfa458-1
0.292
MAK-UNK-212f693e-24
0.286
AHN-SAT-02ef6d10-9
0.286
MAK-UNK-10dfa458-18
0.286
MAK-UNK-10dfa458-2
0.286
MED-COV-4280ac29-14
0.286
SAD-SAT-1f400d17-1
0.283
AHN-SAT-02ef6d10-6
0.280
MAK-UNK-6ca90168-12
0.277
SAD-SAT-1f400d17-6
0.277
SAD-SAT-b55127ae-10
0.275
ANT-OPE-d972fbad-1
0.271
PEI-IMP-3d837503-2
0.271
MAK-UNK-4b073b5c-17
0.270
SAD-SAT-3a925b8b-10
0.265
AHN-SAT-02ef6d10-3
0.265
MAK-UNK-10dfa458-6
0.260
SAD-SAT-f0a2747f-10
0.259
MAK-UNK-10dfa458-9
0.259
JOH-UNI-27ac80fd-34
0.259
JOH-UNI-27ac80fd-3
0.255
JAG-SYN-9c2cd0bd-1
0.255
MAK-UNK-6ca90168-2
0.255
AHN-SAT-02ef6d10-5
0.255
SAD-SAT-1f400d17-10
0.250
SAD-SAT-b55127ae-4
0.250
SAD-SAT-b55127ae-5
0.250
JOH-UNI-e19b918c-13
0.250
DAV-IMP-59dd6621-23
0.250
JAG-SYN-9c2cd0bd-3
0.245
MAK-UNK-10dfa458-5
0.245
AHN-SAT-02ef6d10-10
0.245
BEN-DND-03ad4429-3
0.245
SAD-SAT-581007d4-8
0.245
MAK-UNK-6ca90168-13
0.245
ANT-OPE-c0c3e7cc-1
0.241
AHN-SAT-02ef6d10-4
0.237
SAD-SAT-b55127ae-1
0.236
MAK-UNK-10dfa458-10
0.236
JAN-GHE-4287bd1a-1
0.236
SAD-SAT-f0a2747f-9
0.232
SAD-SAT-2ceae68f-8
0.228
DAV-IMP-59dd6621-25
0.224
JOO-IND-6372a4f3-1
0.224
JOO-IND-6372a4f3-4
0.224
MAK-UNK-10dfa458-8
0.224
JOO-IND-b13e14cc-1
0.222
SAD-SAT-1b030f84-9
0.219
ANT-OPE-3756b28b-1
0.217
SAD-SAT-f0a2747f-6
0.217
MED-COV-4280ac29-32
0.217
NIR-THE-b7e8e081-1
0.213
JOH-UNI-27ac80fd-10
0.213
SAD-SAT-b55127ae-3
0.212
DAV-IMP-59dd6621-9
0.212
MAT-POS-2db6411e-1
0.209
MAK-UNK-212f693e-27
0.204
DAV-IMP-59dd6621-14
0.204
DAV-IMP-59dd6621-28
0.204
MAT-POS-4e253971-2
0.203
AHN-SAT-02ef6d10-1
0.203
WAR-XCH-72a8c209-10
0.203
SAD-SAT-b55127ae-9
0.200
MAK-UNK-4b073b5c-18
0.200
SAD-SAT-b55127ae-7
0.200
WAR-XCH-72a8c209-9
0.200
DAV-IMP-59dd6621-21
0.200
JAN-GHE-c863d918-1
0.200
DAV-IMP-59dd6621-8
0.200
SAD-SAT-b55127ae-6
0.197
MAK-UNK-704ed37c-4
0.196
MAK-UNK-6ca90168-19
0.196
SAD-SAT-6b5a89f0-6
0.195
SAD-SAT-c989feaa-6
0.194
SAD-SAT-c989feaa-7
0.194
JAN-GHE-bf40f168-9
0.194
DAV-IMP-59dd6621-30
0.193
MAK-UNK-10dfa458-7
0.191
JAN-GHE-6413aaf8-9
0.191
NAU-LAT-f723e322-4
0.190
DAV-IMP-59dd6621-26
0.190
JAN-GHE-6413aaf8-5
0.189
ANT-OPE-e67e7ba0-1
0.188
JAN-GHE-6413aaf8-7
0.187
DAV-IMP-59dd6621-16
0.186
MAK-UNK-987948f6-4
0.186
SAD-SAT-2ceae68f-7
0.186
SAD-SAT-1f400d17-4
0.186
SAD-SAT-1f400d17-9
0.186
AAR-POS-0daf6b7e-21
0.184