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DocumentationIdentifier: MM178115
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM178115 |
| SMILES |
C#CCC(C#C)OC=O
|
| InChIKey |
URSVVBVQYYUFJB-UHFFFAOYSA-N
|
| MW [Da] |
122.12
Automatically obtained from RDkit software. |
| LogP |
0.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM116146
Similarity: 0.7857
Similarity to MM116146
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM377269
Similarity: 0.7179
Similarity to MM377269
| Tanimoto metric | 0.7179 |
|---|---|
| Cosine metric | 0.8473 |
| Dice metric | 0.8358 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107293
Similarity: 0.7143
Similarity to MM107293
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+190 more
