Molecular Properties | |
SMILES: | CC(=O)N1CCN(Oc2ccsc2)CC1 |
MW: | 226.08 |
Fraction sp3: | 0.5 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 32.78 |
cLogP: | 1.21 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
acyclic NO not nitro
Hetero_hetero
LON-WEI-8f408cad-3
MAK-UNK-212f693e-9
0.660
MAK-UNK-212f693e-2
0.455
MAK-UNK-6ca90168-19
0.423
MAK-UNK-212f693e-3
0.417
MAK-UNK-212f693e-5
0.400
MAK-UNK-6435e6c2-3
0.400
MAK-UNK-6435e6c2-11
0.400
MAK-UNK-4c6b313a-1
0.400
MAK-UNK-6435e6c2-10
0.400
MAK-UNK-212f693e-31
0.377
MAK-UNK-212f693e-24
0.367
MAK-UNK-212f693e-4
0.365
MAK-UNK-212f693e-14
0.362
MAK-UNK-212f693e-23
0.362
MAK-UNK-212f693e-18
0.361
MAK-UNK-212f693e-21
0.356
MAK-UNK-212f693e-16
0.345
MAK-UNK-212f693e-25
0.333
MAK-UNK-212f693e-11
0.333
MAK-UNK-212f693e-27
0.333
MAK-UNK-212f693e-29
0.333
MAK-UNK-212f693e-10
0.328
MAK-UNK-212f693e-28
0.328
MAK-UNK-212f693e-22
0.328
SAD-SAT-bc31ec01-9
0.328
MAK-UNK-6435e6c2-2
0.322
MAK-UNK-212f693e-26
0.313
MAK-UNK-212f693e-30
0.312
MAK-UNK-212f693e-19
0.312
MAK-UNK-212f693e-33
0.312
MAK-UNK-212f693e-35
0.297
MAK-UNK-212f693e-34
0.297
SAD-SAT-2fd372d1-4
0.295
MAK-UNK-6435e6c2-6
0.295
MAK-UNK-6435e6c2-1
0.295
MAK-UNK-902cc841-18
0.295
MAK-UNK-902cc841-2
0.295
MAK-UNK-902cc841-10
0.293
MAK-UNK-212f693e-7
0.290
MAK-UNK-e4a48a85-2
0.289
MAK-UNK-902cc841-1
0.287
MAK-UNK-212f693e-20
0.286
MAK-UNK-212f693e-12
0.286
MAK-UNK-acefcb18-12
0.286
MAK-UNK-10dfa458-18
0.281
MAK-UNK-212f693e-6
0.279
MAK-UNK-902cc841-17
0.278
MAK-UNK-10dfa458-46
0.277
MAT-POS-ee51dedd-2
0.277
MAK-UNK-6ca90168-20
0.274
WAR-XCH-b6889685-19
0.274
MAK-UNK-902cc841-14
0.271
MAK-UNK-7264f48c-1
0.269
MAK-UNK-212f693e-13
0.269
MAK-UNK-212f693e-15
0.266
MAK-UNK-10dfa458-1
0.266
AAR-POS-0daf6b7e-13
0.266
MAK-UNK-212f693e-8
0.266
LON-WEI-8f408cad-7
0.266
JOH-UNI-27ac80fd-31
0.266
WIL-LEE-23e8b574-7
0.265
MAK-UNK-902cc841-13
0.264
AAR-POS-d2a4d1df-6
0.262
JON-UIO-066ce08b-1
0.262
JON-UNI-bb9dc649-16
0.262
MAK-UNK-10dfa458-20
0.262
KIM-UNI-7d12df64-3
0.261
JON-UNI-bb9dc649-11
0.261
MAK-UNK-902cc841-8
0.259
MAK-UNK-23561bf6-1
0.258
MAK-UNK-e4a48a85-1
0.257
LIZ-THE-f118233e-1
0.257
MAK-UNK-902cc841-16
0.256
AAR-POS-0daf6b7e-21
0.255
MAK-UNK-212f693e-17
0.254
MAK-UNK-212f693e-32
0.254
MAK-UNK-902cc841-9
0.253
DAN-MCD-0c04f563-1
0.253
MAK-UNK-902cc841-6
0.250
KIM-UNI-2ee5d8f9-1
0.250
MAK-UNK-902cc841-4
0.250
WIL-LEE-23e8b574-1
0.250
BEN-DND-6de5dfa0-17
0.247
ISA-SCH-8e98219b-2
0.246
WIL-LEE-23e8b574-5
0.246
JON-UIO-066ce08b-3
0.246
MAK-UNK-6435e6c2-5
0.246
JOH-UNK-14e6adc5-8
0.244
JOH-UNK-14e6adc5-7
0.243
JOH-IMS-cc7b4c67-1
0.243
AHN-SAT-02ef6d10-9
0.242
AAR-POS-0daf6b7e-44
0.242
MAK-UNK-acefcb18-14
0.241
MAK-UNK-7264f48c-2
0.241
BEN-DND-6de5dfa0-22
0.239
ALE-MCD-a1893bfb-1
0.238
ANT-OPE-7824651a-1
0.237
ISA-SCH-8e98219b-3
0.236
MAK-UNK-7264f48c-6
0.235
WIL-LEE-23e8b574-2
0.235