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DocumentationIdentifier: MM355020
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM355020 |
| SMILES |
C=CC(=C)C(C)=C(C)C#N
|
| InChIKey |
ZWENCILGAMFYIC-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 |
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MM161838
Similarity: 0.7311
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| Tanimoto metric | 0.7311 |
|---|---|
| Cosine metric | 0.855 |
| Dice metric | 0.8447 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8501 |
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| MW: | 119.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.2 |
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MM161643
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Similarity to MM161643
| Tanimoto metric | 0.6555 |
|---|---|
| Cosine metric | 0.8096 |
| Dice metric | 0.7919 |
| MW: | 122.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+111 more
