Molecular Properties | |
SMILES: | CC(=O)N1CCN(C(=O)c2ccsc2)CC1 |
MW: | 238.08 |
Fraction sp3: | 0.45 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 1 |
TPSA: | 40.62 |
cLogP: | 1.05 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
Enamine REAL: | Z82307170 |
Mcule: | MCULE-8853889921 |
Mcule Ultimate: | FAFSDNOAHBBOJW-UHFFFAOYSA-N |
MolPort: | MolPort-020-328-937 |
AAR-POS-d2a4d1df-24
MAK-UNK-6ca90168-20
0.630
SAD-SAT-2fd372d1-4
0.596
LIZ-THE-f118233e-1
0.483
MAK-UNK-6435e6c2-3
0.460
JUL-TUD-06b2044f-29
0.438
MAK-UNK-6435e6c2-11
0.431
MAK-UNK-6435e6c2-10
0.431
MAK-UNK-212f693e-5
0.431
MAK-UNK-4c6b313a-1
0.431
MAK-UNK-212f693e-1
0.423
MAK-UNK-212f693e-14
0.389
MAK-UNK-212f693e-16
0.370
MAK-UNK-212f693e-2
0.357
JON-UNI-bb9dc649-16
0.345
MAK-UNK-6435e6c2-1
0.339
AAR-POS-d2a4d1df-25
0.339
AHN-SAT-de2502ba-8
0.339
MAK-UNK-212f693e-7
0.333
MAK-UNK-212f693e-3
0.328
SAD-SAT-bc31ec01-9
0.328
MAK-UNK-987948f6-2
0.327
JON-UNI-bb9dc649-4
0.323
MAK-UNK-6435e6c2-2
0.321
MAK-UNK-212f693e-6
0.321
DRR-IMP-db50bf6e-3
0.321
DRR-IMP-db50bf6e-1
0.316
MAK-UNK-212f693e-19
0.311
MAK-UNK-902cc841-2
0.311
AAR-POS-0daf6b7e-13
0.305
LON-WEI-8f408cad-7
0.305
MAK-UNK-212f693e-15
0.305
MAK-UNK-212f693e-20
0.305
MAK-UNK-10dfa458-1
0.305
MAK-UNK-212f693e-8
0.305
AAR-POS-0daf6b7e-21
0.304
MAK-UNK-212f693e-4
0.302
GIA-UNK-eaadd1d4-1
0.302
MAK-UNK-10dfa458-20
0.300
MAK-UNK-10dfa458-18
0.300
MAK-UNK-987948f6-3
0.300
ASH-SAT-43770c7d-10
0.300
JAN-GHE-fd8d85a5-7
0.299
MAK-UNK-212f693e-35
0.295
MAK-UNK-10dfa458-46
0.295
MAT-POS-ee51dedd-2
0.295
SAD-SAT-581007d4-5
0.295
MAK-UNK-902cc841-17
0.293
MAK-UNK-902cc841-18
0.293
SAD-SAT-3a925b8b-5
0.293
MAK-UNK-902cc841-13
0.293
MAK-UNK-212f693e-33
0.290
KIM-UNI-2ee5d8f9-1
0.288
MAK-UNK-e4a48a85-2
0.288
PAT-UNK-b2d83456-1
0.286
MAK-UNK-212f693e-13
0.286
MAK-UNK-902cc841-1
0.286
MAK-UNK-902cc841-14
0.284
MAK-UNK-7264f48c-1
0.284
JOH-UNI-27ac80fd-31
0.283
JON-UIO-066ce08b-3
0.283
MAK-UNK-acefcb18-12
0.283
JON-UIO-066ce08b-1
0.279
MAK-UNK-6ca90168-15
0.279
MED-COV-4280ac29-14
0.279
MAK-UNK-212f693e-24
0.279
MAK-UNK-902cc841-6
0.277
JON-UNI-bb9dc649-11
0.277
PAT-UNK-b2d83456-2
0.277
MAK-UNK-902cc841-10
0.275
MAK-UNK-212f693e-9
0.274
MAK-UNK-212f693e-34
0.274
MAK-UNK-212f693e-18
0.274
MAK-UNK-212f693e-26
0.273
MAK-UNK-902cc841-8
0.272
MAK-UNK-e4a48a85-1
0.271
JOH-UNI-27ac80fd-26
0.271
MAK-UNK-6435e6c2-6
0.271
MAK-UNK-6ca90168-21
0.271
MAK-UNK-212f693e-23
0.271
MAK-UNK-212f693e-17
0.271
WIL-LEE-23e8b574-2
0.270
WIL-LEE-23e8b574-4
0.270
MAK-UNK-212f693e-32
0.270
BEN-DND-7e92b6ca-6
0.268
ALE-SYG-bac15da4-2
0.268
MAK-UNK-212f693e-21
0.267
JOH-UNI-27ac80fd-25
0.267
WIL-LEE-23e8b574-1
0.267
AAR-POS-0daf6b7e-16
0.267
SAD-SAT-1b030f84-5
0.267
MAK-UNK-212f693e-28
0.266
JOH-UNI-27ac80fd-19
0.263
MAK-UNK-6435e6c2-5
0.262
MAK-UNK-902cc841-4
0.262
MAK-UNK-acefcb18-1
0.262
JAN-GHE-1d98ec1c-10
0.261
GIA-UNK-5ec6c2b8-1
0.259
AHN-SAT-02ef6d10-9
0.258
KIM-UNI-7d12df64-3
0.258
JON-UIO-066ce08b-4
0.258