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DocumentationIdentifier: MM206640
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM206640 |
| SMILES |
CC(CCCO)CC(=O)O
|
| InChIKey |
ICELWQDCXZXRBH-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.87
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM135173
Similarity: 0.9231
Similarity to MM135173
| Tanimoto metric | 0.9231 |
|---|---|
| Cosine metric | 0.9608 |
| Dice metric | 0.96 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 5
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239133
Similarity: 0.8193
Similarity to MM239133
| Tanimoto metric | 0.8193 |
|---|---|
| Cosine metric | 0.9012 |
| Dice metric | 0.9007 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM144228
Similarity: 0.7561
Similarity to MM144228
| Tanimoto metric | 0.7561 |
|---|---|
| Cosine metric | 0.8641 |
| Dice metric | 0.8611 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 5
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+356 more
