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DocumentationIdentifier: MM458875
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM458875 |
| SMILES |
C=COCC#CC#CCO
|
| InChIKey |
HWOGWJJHSGMGPO-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM216082
Similarity: 0.9623
Similarity to MM216082
| Tanimoto metric | 0.9623 |
|---|---|
| Cosine metric | 0.981 |
| Dice metric | 0.9808 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM458953
Similarity: 0.8644
Similarity to MM458953
| Tanimoto metric | 0.8644 |
|---|---|
| Cosine metric | 0.9279 |
| Dice metric | 0.9273 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM126460
Similarity: 0.8491
Similarity to MM126460
| Tanimoto metric | 0.8491 |
|---|---|
| Cosine metric | 0.9214 |
| Dice metric | 0.9184 |
| MW: | 106.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+551 more
