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DocumentationIdentifier: MM37939
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM37939 |
| SMILES |
C=CCC#CC(N)C(C)O
|
| InChIKey |
BXHRPDPAPKCFOE-UHFFFAOYSA-N
|
| MW [Da] |
139.2
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
MM293814
Similarity: 0.7876
Similarity to MM293814
| Tanimoto metric | 0.7876 |
|---|---|
| Cosine metric | 0.8827 |
| Dice metric | 0.8812 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM36347
Similarity: 0.7333
Similarity to MM36347
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8465 |
| Dice metric | 0.8462 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM38687
Similarity: 0.7213
Similarity to MM38687
| Tanimoto metric | 0.7213 |
|---|---|
| Cosine metric | 0.8382 |
| Dice metric | 0.8381 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+534 more
