Identifier: MM142207
2D Structure
3D Structure
Source:
General | |
Identifier | MM142207 |
SMILES |
CCC(=O)CC(C)C#N
|
InChIKey |
FZGKZSYMEWLCFT-UHFFFAOYSA-N
|
MW [Da] |
125.17
Automatically obtained from RDkit software. |
LogP |
1.52
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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Tanimoto metric | 0.878 |
---|---|
Cosine metric | 0.937 |
Dice metric | 0.9351 |
MW: | 136.15 |
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PI: | 1
Total passive interactions
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LogP: | 1.02 |
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AI: | 0
Total active interactions
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Cosine metric | 0.937 |
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Total passive interactions
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Cosine metric | 0.9314 |
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Total passive interactions
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LogP: | 1.76 |
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Total active interactions
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+287 more