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DocumentationIdentifier: MM169017
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM169017 |
| SMILES |
C#CC=COC(C)=CC
|
| InChIKey |
IMSDVJBPNMLSIS-UHFFFAOYSA-N
|
| MW [Da] |
122.17
Automatically obtained from RDkit software. |
| LogP |
2.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM284089
Similarity: 0.9028
Similarity to MM284089
| Tanimoto metric | 0.9028 |
|---|---|
| Cosine metric | 0.9501 |
| Dice metric | 0.9489 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159143
Similarity: 0.8611
Similarity to MM159143
| Tanimoto metric | 0.8611 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9254 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM375542
Similarity: 0.8442
Similarity to MM375542
| Tanimoto metric | 0.8442 |
|---|---|
| Cosine metric | 0.9188 |
| Dice metric | 0.9155 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+635 more
