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DocumentationIdentifier: MM299912
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM299912 |
| SMILES |
CCCC(O)C(O)C(=O)O
|
| InChIKey |
AYVUEVAZCRPYAP-UHFFFAOYSA-N
|
| MW [Da] |
148.16
Automatically obtained from RDkit software. |
| LogP |
-0.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM432614
Similarity: 0.6887
Similarity to MM432614
| Tanimoto metric | 0.6887 |
|---|---|
| Cosine metric | 0.8175 |
| Dice metric | 0.8157 |
| MW: | 145.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM299894
Similarity: 0.6732
Similarity to MM299894
| Tanimoto metric | 0.6732 |
|---|---|
| Cosine metric | 0.8067 |
| Dice metric | 0.8047 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
2-Hydroxycaproic Acid
Similarity: 0.6723
Similarity to 2-Hydroxycaproic Acid
| Tanimoto metric | 0.6723 |
|---|---|
| Cosine metric | 0.8199 |
| Dice metric | 0.804 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 9
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+243 more
