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DocumentationIdentifier: MM86510
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM86510 |
| SMILES |
N#CC(=CC=O)C(O)C=O
|
| InChIKey |
OUMRPTKHXXDTCM-UHFFFAOYSA-N
|
| MW [Da] |
139.11
Automatically obtained from RDkit software. |
| LogP |
-0.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM52689
Similarity: 0.7676
Similarity to MM52689
| Tanimoto metric | 0.7676 |
|---|---|
| Cosine metric | 0.8761 |
| Dice metric | 0.8685 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM86512
Similarity: 0.7126
Similarity to MM86512
| Tanimoto metric | 0.7126 |
|---|---|
| Cosine metric | 0.8322 |
| Dice metric | 0.8322 |
| MW: | 136.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383630
Similarity: 0.6879
Similarity to MM383630
| Tanimoto metric | 0.6879 |
|---|---|
| Cosine metric | 0.8154 |
| Dice metric | 0.8151 |
| MW: | 143.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+70 more
