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DocumentationIdentifier: MM336419
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM336419 |
| SMILES |
C#CC(C)=CC(=CC)OC
|
| InChIKey |
SWYIROFSFAKIOP-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
2.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM143783
Similarity: 0.7652
Similarity to MM143783
| Tanimoto metric | 0.7652 |
|---|---|
| Cosine metric | 0.8748 |
| Dice metric | 0.867 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM274243
Similarity: 0.7302
Similarity to MM274243
| Tanimoto metric | 0.7302 |
|---|---|
| Cosine metric | 0.8453 |
| Dice metric | 0.844 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM339320
Similarity: 0.7097
Similarity to MM339320
| Tanimoto metric | 0.7097 |
|---|---|
| Cosine metric | 0.8332 |
| Dice metric | 0.8302 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+420 more
