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DocumentationIdentifier: MM336892
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM336892 |
| SMILES |
CCC(=CC(O)CO)CC
|
| InChIKey |
IQPQHOYAVSVEJW-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.09
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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MM267265
Similarity: 0.798
Similarity to MM267265
| Tanimoto metric | 0.798 |
|---|---|
| Cosine metric | 0.8879 |
| Dice metric | 0.8876 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM267267
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| Tanimoto metric | 0.7778 |
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| Cosine metric | 0.8751 |
| Dice metric | 0.875 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM344446
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| Tanimoto metric | 0.7471 |
|---|---|
| Cosine metric | 0.8644 |
| Dice metric | 0.8553 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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