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DocumentationIdentifier: MM313067
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM313067 |
| SMILES |
C=CC(C#N)(C#N)OC=O
|
| InChIKey |
HETTUJIQWPKFQT-UHFFFAOYSA-N
|
| MW [Da] |
136.11
Automatically obtained from RDkit software. |
| LogP |
0.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139571
Similarity: 0.8435
Similarity to MM139571
| Tanimoto metric | 0.8435 |
|---|---|
| Cosine metric | 0.9184 |
| Dice metric | 0.9151 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM229533
Similarity: 0.6467
Similarity to MM229533
| Tanimoto metric | 0.6467 |
|---|---|
| Cosine metric | 0.7873 |
| Dice metric | 0.7854 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42392
Similarity: 0.6348
Similarity to MM42392
| Tanimoto metric | 0.6348 |
|---|---|
| Cosine metric | 0.7967 |
| Dice metric | 0.7766 |
| MW: | 124.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+27 more
