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DocumentationIdentifier: MM158458
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM158458 |
| SMILES |
C#CCC(O)C#CC#N
|
| InChIKey |
XLEONQJPVNMVQN-UHFFFAOYSA-N
|
| MW [Da] |
119.12
Automatically obtained from RDkit software. |
| LogP |
-0.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM37157
Similarity: 0.8108
Similarity to MM37157
| Tanimoto metric | 0.8108 |
|---|---|
| Cosine metric | 0.9005 |
| Dice metric | 0.8955 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM281341
Similarity: 0.8095
Similarity to MM281341
| Tanimoto metric | 0.8095 |
|---|---|
| Cosine metric | 0.895 |
| Dice metric | 0.8947 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM169198
Similarity: 0.7561
Similarity to MM169198
| Tanimoto metric | 0.7561 |
|---|---|
| Cosine metric | 0.8614 |
| Dice metric | 0.8611 |
| MW: | 119.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+259 more
