2-Hydroxycaproic Acid
2D Structure
3D Structure
Source:
General | |
Identifier | MM00598 |
SMILES |
CCCC[C@H](O)C(=O)O
|
InChIKey |
NYHNVHGFPZAZGA-YFKPBYRVSA-N
|
MW [Da] |
132.16
Automatically obtained from RDkit software. |
LogP |
0.62
Automatically obtained from RDkit software. |
Links | |
PubChem |
99824
|
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
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Tanimoto metric | 0.8375 |
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Cosine metric | 0.9152 |
Dice metric | 0.9116 |
MW: | 118.13 |
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PI: | 9
Total passive interactions
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LogP: | 0.23 |
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AI: | 0
Total active interactions
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MM296778
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Tanimoto metric | 0.8081 |
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Cosine metric | 0.8989 |
Dice metric | 0.8939 |
MW: | 148.16 |
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PI: | 3
Total passive interactions
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LogP: | -0.41 |
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AI: | 0
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Similarity to MM299912
Tanimoto metric | 0.6723 |
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Cosine metric | 0.8199 |
Dice metric | 0.804 |
MW: | 148.16 |
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PI: | 3
Total passive interactions
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LogP: | -0.41 |
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AI: | 0
Total active interactions
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+313 more