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DocumentationIdentifier: MM344508
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM344508 |
| SMILES |
C=C(C)C=CC(C#N)=CC
|
| InChIKey |
XTILXFKVMKOQMM-UHFFFAOYSA-N
|
| MW [Da] |
133.19
Automatically obtained from RDkit software. |
| LogP |
2.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM322671
Similarity: 0.8913
Similarity to MM322671
| Tanimoto metric | 0.8913 |
|---|---|
| Cosine metric | 0.9431 |
| Dice metric | 0.9425 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM430882
Similarity: 0.8172
Similarity to MM430882
| Tanimoto metric | 0.8172 |
|---|---|
| Cosine metric | 0.9013 |
| Dice metric | 0.8994 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM429883
Similarity: 0.8085
Similarity to MM429883
| Tanimoto metric | 0.8085 |
|---|---|
| Cosine metric | 0.8957 |
| Dice metric | 0.8941 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+276 more
