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DocumentationIdentifier: MM296318
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM296318 |
| SMILES |
C=C(CCC)C(C)=CC#N
|
| InChIKey |
VPPYRLYZKJWQSX-UHFFFAOYSA-N
|
| MW [Da] |
135.21
Automatically obtained from RDkit software. |
| LogP |
2.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM175511
Similarity: 0.819
Similarity to MM175511
| Tanimoto metric | 0.819 |
|---|---|
| Cosine metric | 0.905 |
| Dice metric | 0.9005 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM174845
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| Tanimoto metric | 0.7143 |
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| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM421797
Similarity: 0.7107
Similarity to MM421797
| Tanimoto metric | 0.7107 |
|---|---|
| Cosine metric | 0.831 |
| Dice metric | 0.8309 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+313 more
