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DocumentationIdentifier: MM279617
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM279617 |
| SMILES |
C=CCOCC(=C)C#CC
|
| InChIKey |
ARPXJGPDZREPRM-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
1.77
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157542
Similarity: 0.9167
Similarity to MM157542
| Tanimoto metric | 0.9167 |
|---|---|
| Cosine metric | 0.9574 |
| Dice metric | 0.9565 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM279583
Similarity: 0.8778
Similarity to MM279583
| Tanimoto metric | 0.8778 |
|---|---|
| Cosine metric | 0.9349 |
| Dice metric | 0.9349 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM279633
Similarity: 0.8021
Similarity to MM279633
| Tanimoto metric | 0.8021 |
|---|---|
| Cosine metric | 0.8905 |
| Dice metric | 0.8902 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+454 more
