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DocumentationIdentifier: MM386124
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386124 |
| SMILES |
CCCC(C#N)=COC=O
|
| InChIKey |
QHZOAXNLPWRQCL-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
1.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM201773
Similarity: 0.8155
Similarity to MM201773
| Tanimoto metric | 0.8155 |
|---|---|
| Cosine metric | 0.9031 |
| Dice metric | 0.8984 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386122
Similarity: 0.7034
Similarity to MM386122
| Tanimoto metric | 0.7034 |
|---|---|
| Cosine metric | 0.8261 |
| Dice metric | 0.8259 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386046
Similarity: 0.6803
Similarity to MM386046
| Tanimoto metric | 0.6803 |
|---|---|
| Cosine metric | 0.8098 |
| Dice metric | 0.8098 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+318 more
