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DocumentationIdentifier: MM172647
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172647 |
| SMILES |
C#CCC(O)C(=O)CO
|
| InChIKey |
GXIBPNKZIKVRMA-UHFFFAOYSA-N
|
| MW [Da] |
128.13
Automatically obtained from RDkit software. |
| LogP |
-1.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM85598
Similarity: 0.8174
Similarity to MM85598
| Tanimoto metric | 0.8174 |
|---|---|
| Cosine metric | 0.9041 |
| Dice metric | 0.8995 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111715
Similarity: 0.6915
Similarity to MM111715
| Tanimoto metric | 0.6915 |
|---|---|
| Cosine metric | 0.8316 |
| Dice metric | 0.8176 |
| MW: | 118.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172646
Similarity: 0.6518
Similarity to MM172646
| Tanimoto metric | 0.6518 |
|---|---|
| Cosine metric | 0.7893 |
| Dice metric | 0.7892 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+323 more
