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DocumentationIdentifier: MM254565
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM254565 |
| SMILES |
CC(=O)CCC(O)C(C)O
|
| InChIKey |
CZNMMNGWBIIGKX-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144243
Similarity: 0.7447
Similarity to MM144243
| Tanimoto metric | 0.7447 |
|---|---|
| Cosine metric | 0.8629 |
| Dice metric | 0.8537 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM268463
Similarity: 0.7232
Similarity to MM268463
| Tanimoto metric | 0.7232 |
|---|---|
| Cosine metric | 0.8397 |
| Dice metric | 0.8394 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM316324
Similarity: 0.7115
Similarity to MM316324
| Tanimoto metric | 0.7115 |
|---|---|
| Cosine metric | 0.8328 |
| Dice metric | 0.8315 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+340 more
