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DocumentationIdentifier: MM297005
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM297005 |
| SMILES |
CC(=CC#N)C(C)=CC#N
|
| InChIKey |
NVTXFMSSZHCUII-UHFFFAOYSA-N
|
| MW [Da] |
132.17
Automatically obtained from RDkit software. |
| LogP |
1.93
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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MM175724
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| Tanimoto metric | 0.9722 |
|---|---|
| Cosine metric | 0.986 |
| Dice metric | 0.9859 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM108904
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| Cosine metric | 0.9129 |
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| MW: | 107.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.03 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM47156
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Similarity to MM47156
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
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| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+210 more
