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DocumentationIdentifier: MM96110
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM96110 |
| SMILES |
N#CC=C(CO)C(O)C=O
|
| InChIKey |
NSQZSWFMKDVYPC-UHFFFAOYSA-N
|
| MW [Da] |
141.13
Automatically obtained from RDkit software. |
| LogP |
-1.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM175334
Similarity: 0.7681
Similarity to MM175334
| Tanimoto metric | 0.7681 |
|---|---|
| Cosine metric | 0.8764 |
| Dice metric | 0.8689 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM96025
Similarity: 0.6708
Similarity to MM96025
| Tanimoto metric | 0.6708 |
|---|---|
| Cosine metric | 0.8032 |
| Dice metric | 0.803 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383228
Similarity: 0.6485
Similarity to MM383228
| Tanimoto metric | 0.6485 |
|---|---|
| Cosine metric | 0.7868 |
| Dice metric | 0.7868 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+151 more
