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DocumentationIdentifier: MM94934
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM94934 |
| SMILES |
C#CC(OC=O)C(=C)CO
|
| InChIKey |
MNHGGKDUAAOHLW-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM50126
Similarity: 0.6644
Similarity to MM50126
| Tanimoto metric | 0.6644 |
|---|---|
| Cosine metric | 0.8151 |
| Dice metric | 0.7984 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351598
Similarity: 0.6257
Similarity to MM351598
| Tanimoto metric | 0.6257 |
|---|---|
| Cosine metric | 0.7718 |
| Dice metric | 0.7698 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378940
Similarity: 0.6203
Similarity to MM378940
| Tanimoto metric | 0.6203 |
|---|---|
| Cosine metric | 0.7658 |
| Dice metric | 0.7657 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+31 more
