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DocumentationIdentifier: MM84589
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM84589 |
| SMILES |
CC(CCCO)C(=O)CO
|
| InChIKey |
XTWAAHRDDQAVTL-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
-0.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM317440
Similarity: 0.7865
Similarity to MM317440
| Tanimoto metric | 0.7865 |
|---|---|
| Cosine metric | 0.8869 |
| Dice metric | 0.8805 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349254
Similarity: 0.7767
Similarity to MM349254
| Tanimoto metric | 0.7767 |
|---|---|
| Cosine metric | 0.8746 |
| Dice metric | 0.8743 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348791
Similarity: 0.7767
Similarity to MM348791
| Tanimoto metric | 0.7767 |
|---|---|
| Cosine metric | 0.8746 |
| Dice metric | 0.8743 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+410 more
