Molecular Properties | |
SMILES: | O=CC(=S)N1CCC(Oc2ccsc2)CC1 |
MW: | 255.04 |
Fraction sp3: | 0.45 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 29.54 |
cLogP: | 2.12 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
aldehyde
aldehyde
Thiocarbonyl group
Aldehydes
Heteroatom-bonded thiocarbonyls
Thiocarbonyls
Filter38_aldehyde
aldehyde
aldehyde
thioamide
Aldehyde
Thiocarbonyl_group
LON-WEI-8f408cad-3
MAK-UNK-212f693e-23
0.667
MAK-UNK-212f693e-27
0.667
MAK-UNK-212f693e-24
0.660
MAK-UNK-212f693e-2
0.654
MAK-UNK-212f693e-21
0.654
MAK-UNK-212f693e-25
0.636
MAK-UNK-212f693e-28
0.625
MAK-UNK-212f693e-18
0.618
MAK-UNK-212f693e-29
0.607
MAK-UNK-212f693e-31
0.607
MAK-UNK-212f693e-10
0.596
MAK-UNK-212f693e-22
0.596
MAK-UNK-212f693e-26
0.567
MAK-UNK-212f693e-4
0.438
MAK-UNK-212f693e-12
0.412
MAK-UNK-212f693e-3
0.400
MAK-UNK-212f693e-11
0.382
MAK-UNK-212f693e-1
0.312
MAK-UNK-212f693e-9
0.290
MAK-UNK-212f693e-14
0.288
MAK-UNK-212f693e-19
0.286
MAK-UNK-212f693e-20
0.279
MAK-UNK-212f693e-16
0.273
MAK-UNK-212f693e-35
0.271
MAK-UNK-212f693e-33
0.268
MAK-UNK-212f693e-13
0.264
MAK-UNK-10dfa458-1
0.261
MAK-UNK-10dfa458-18
0.257
AHN-SAT-02ef6d10-9
0.257
AHN-SAT-02ef6d10-4
0.256
MAK-UNK-212f693e-34
0.254
WAR-XCH-b6889685-19
0.253
MAK-UNK-a7992eb3-11
0.250
MAK-UNK-212f693e-32
0.250
MAK-UNK-a7992eb3-16
0.244
MAK-UNK-212f693e-15
0.243
MAK-UNK-a7992eb3-1
0.242
MAK-UNK-acefcb18-12
0.238
MAK-UNK-a7992eb3-15
0.237
MAK-UNK-6ca90168-22
0.231
MAK-UNK-6ca90168-19
0.231
GIA-UNK-595fac82-2
0.230
JON-UNI-bb9dc649-20
0.228
GIA-UNK-595fac82-3
0.227
AAR-POS-d2a4d1df-7
0.224
SAD-SAT-f0a2747f-10
0.224
AAR-POS-d2a4d1df-14
0.221
MAK-UNK-6435e6c2-11
0.221
MAK-UNK-6435e6c2-3
0.221
MAK-UNK-6435e6c2-10
0.221
MAK-UNK-4c6b313a-1
0.221
MAK-UNK-212f693e-5
0.221
MAK-UNK-acefcb18-31
0.220
MAK-UNK-212f693e-6
0.217
MAK-UNK-10dfa458-14
0.217
MAK-UNK-a7992eb3-14
0.216
MAK-UNK-6ca90168-20
0.214
SAD-SAT-2fd372d1-4
0.214
MAK-UNK-a7992eb3-12
0.214
SAD-SAT-1f400d17-4
0.213
JAG-SYN-9c2cd0bd-3
0.213
MAK-UNK-acefcb18-19
0.213
MAK-UNK-212f693e-7
0.211
MAK-UNK-987948f6-15
0.211
MAK-UNK-212f693e-8
0.208
SAD-SAT-bc31ec01-9
0.208
LON-WEI-8f408cad-7
0.208
AAR-POS-0daf6b7e-13
0.208
MAK-UNK-10dfa458-10
0.208
ANT-DIA-045cfdc4-2
0.207
LIZ-THE-f118233e-1
0.207
MAK-UNK-ed378e62-31
0.206
MAK-UNK-ed378e62-23
0.205
MAK-UNK-10dfa458-20
0.205
ANT-DIA-045cfdc4-1
0.205
GIA-UNK-5ec6c2b8-1
0.203
MAK-UNK-10dfa458-4
0.203
MAK-UNK-10dfa458-46
0.203
MAT-POS-ee51dedd-2
0.203
BEN-DND-03ad4429-7
0.203
RAF-SAT-b3ff87a1-3
0.203
LON-WEI-af038623-4
0.203
JON-UNI-bb9dc649-6
0.203
WAR-XCH-b6889685-31
0.200
JOO-IND-b13e14cc-1
0.200
MAK-UNK-acefcb18-9
0.200
JON-UNI-bb9dc649-8
0.200
JON-UNI-bb9dc649-13
0.200
LON-WEI-af038623-5
0.200
AHN-SAT-02ef6d10-1
0.200
DAN-MCD-0c04f563-1
0.198
RED-RED-10c9212c-13
0.198
SAD-SAT-b55127ae-7
0.198
DRA-CSI-47e38074-13
0.198
WAR-XCH-b72a1bbc-16
0.197
MAK-UNK-7732b35b-21
0.197
MAK-UNK-6ca90168-21
0.197
MAK-UNK-212f693e-17
0.197
DAV-IMP-59dd6621-25
0.197
SAD-SAT-b55127ae-6
0.196