Molecular Properties | |
SMILES: | O=C(C=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: | ✔️ |
Thiocarbonyl group
Thiocarbonyl_group
LON-WEI-8f408cad-3
MAK-UNK-212f693e-24
0.760
MAK-UNK-212f693e-25
0.731
MAK-UNK-212f693e-23
0.700
MAK-UNK-212f693e-2
0.686
MAK-UNK-212f693e-21
0.686
MAK-UNK-212f693e-30
0.667
MAK-UNK-212f693e-29
0.667
MAK-UNK-212f693e-28
0.655
MAK-UNK-212f693e-10
0.655
MAK-UNK-212f693e-18
0.648
MAK-UNK-212f693e-31
0.636
MAK-UNK-212f693e-22
0.625
MAK-UNK-212f693e-26
0.621
MAK-UNK-212f693e-4
0.460
MAK-UNK-212f693e-12
0.433
MAK-UNK-212f693e-3
0.422
MAK-UNK-212f693e-11
0.403
MAK-UNK-212f693e-1
0.333
MAK-UNK-212f693e-9
0.328
MAK-UNK-212f693e-14
0.308
MAK-UNK-212f693e-19
0.304
MAK-UNK-212f693e-13
0.300
MAK-UNK-10dfa458-1
0.299
MAK-UNK-212f693e-20
0.299
MAK-UNK-10dfa458-18
0.294
MAK-UNK-212f693e-16
0.292
MAK-UNK-212f693e-35
0.290
AHN-SAT-02ef6d10-4
0.289
MAK-UNK-212f693e-33
0.286
MAK-UNK-212f693e-32
0.286
MAK-UNK-a7992eb3-11
0.276
AHN-SAT-02ef6d10-9
0.275
MAK-UNK-212f693e-34
0.271
MAK-UNK-6ca90168-22
0.263
MAK-UNK-212f693e-15
0.261
AAR-POS-d2a4d1df-14
0.258
MAK-UNK-212f693e-5
0.258
MAK-UNK-a7992eb3-1
0.255
WAR-XCH-b6889685-19
0.253
MAK-UNK-6ca90168-20
0.250
MAK-UNK-6ca90168-19
0.250
JAG-SYN-9c2cd0bd-3
0.247
GIA-UNK-595fac82-2
0.247
MAK-UNK-a7992eb3-16
0.244
GIA-UNK-595fac82-3
0.243
AAR-POS-0daf6b7e-13
0.243
LON-WEI-8f408cad-7
0.243
MAK-UNK-212f693e-8
0.243
MAK-UNK-a7992eb3-14
0.242
MAK-UNK-10dfa458-10
0.240
ANT-DIA-045cfdc4-1
0.239
MAK-UNK-6435e6c2-11
0.239
MAK-UNK-4c6b313a-1
0.239
MAK-UNK-6435e6c2-3
0.239
MAK-UNK-6435e6c2-10
0.239
MAK-UNK-a7992eb3-15
0.237
MAT-POS-ee51dedd-2
0.236
MAK-UNK-212f693e-6
0.235
SAD-SAT-29425be4-14
0.235
LON-WEI-af038623-4
0.234
MAK-UNK-acefcb18-31
0.233
SAD-SAT-2fd372d1-4
0.232
MAK-UNK-6ca90168-21
0.232
MAK-UNK-10dfa458-14
0.231
SAD-SAT-6b5a89f0-9
0.231
LON-WEI-af038623-5
0.231
NIR-THE-99f25457-2
0.230
MAK-UNK-212f693e-7
0.229
MAK-UNK-987948f6-15
0.227
SAD-SAT-b55127ae-7
0.226
MAK-UNK-acefcb18-14
0.226
SAD-SAT-bc31ec01-9
0.225
MAK-UNK-7c9d1431-25
0.225
MAR-TRE-6a44bbf2-53
0.225
AAR-POS-d2a4d1df-7
0.224
SAD-SAT-f0a2747f-10
0.224
ANT-DIA-045cfdc4-4
0.224
MAK-UNK-10dfa458-2
0.222
LIZ-THE-f118233e-1
0.222
MAK-UNK-10dfa458-20
0.222
SAD-SAT-b55127ae-6
0.222
ANT-DIA-045cfdc4-2
0.222
MAK-UNK-e4a48a85-20
0.221
SAD-SAT-f0a2747f-9
0.221
MAK-UNK-3f402c2b-22
0.221
GIA-UNK-5ec6c2b8-1
0.221
MAK-UNK-10dfa458-4
0.219
MAK-UNK-10dfa458-46
0.219
BEN-DND-03ad4429-7
0.219
NIM-UNI-43fe0159-3
0.219
MAK-UNK-acefcb18-12
0.219
MAK-UNK-e4a48a85-21
0.218
LON-WEI-120e5cf5-14
0.218
MAK-UNK-e4a48a85-24
0.217
SAD-SAT-b55127ae-10
0.216
SAD-SAT-b55127ae-5
0.216
MED-UNK-28939ac5-1
0.214
JOO-IND-b13e14cc-1
0.214
SAD-SAT-f0a2747f-2
0.214
JOH-UNI-27ac80fd-26
0.214