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DocumentationIdentifier: MM433287
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM433287 |
| SMILES |
N#CC1(C=O)CN1CCF
|
| InChIKey |
SIHCMMVXAUZWJP-UHFFFAOYSA-N
|
| MW [Da] |
142.13
Automatically obtained from RDkit software. |
| LogP |
-0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM336480
Similarity: 0.752
Similarity to MM336480
| Tanimoto metric | 0.752 |
|---|---|
| Cosine metric | 0.8587 |
| Dice metric | 0.8584 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM433269
Similarity: 0.7461
Similarity to MM433269
| Tanimoto metric | 0.7461 |
|---|---|
| Cosine metric | 0.8548 |
| Dice metric | 0.8546 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM433705
Similarity: 0.7451
Similarity to MM433705
| Tanimoto metric | 0.7451 |
|---|---|
| Cosine metric | 0.8542 |
| Dice metric | 0.8539 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+14 more
