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DocumentationIdentifier: MM378554
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378554 |
| SMILES |
C=C(C=O)C(C=O)CCO
|
| InChIKey |
NTICBDMEUHWRBR-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
-0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM52274
Similarity: 0.7583
Similarity to MM52274
| Tanimoto metric | 0.7583 |
|---|---|
| Cosine metric | 0.8708 |
| Dice metric | 0.8626 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378024
Similarity: 0.6454
Similarity to MM378024
| Tanimoto metric | 0.6454 |
|---|---|
| Cosine metric | 0.7849 |
| Dice metric | 0.7845 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM393268
Similarity: 0.6454
Similarity to MM393268
| Tanimoto metric | 0.6454 |
|---|---|
| Cosine metric | 0.7849 |
| Dice metric | 0.7845 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+120 more
