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DocumentationIdentifier: MM276178
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM276178 |
| SMILES |
C=CC(C)=COCC(=O)O
|
| InChIKey |
BNPGHDKUIAAZDM-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
1.18
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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MM278740
Similarity: 0.7582
Similarity to MM278740
| Tanimoto metric | 0.7582 |
|---|---|
| Cosine metric | 0.8708 |
| Dice metric | 0.8625 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM171167
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| Tanimoto metric | 0.6923 |
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| Cosine metric | 0.8321 |
| Dice metric | 0.8182 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM260560
Similarity: 0.6857
Similarity to MM260560
| Tanimoto metric | 0.6857 |
|---|---|
| Cosine metric | 0.8139 |
| Dice metric | 0.8136 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+192 more
