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DocumentationIdentifier: MM405699
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM405699 |
| SMILES |
COC=CC=C(C#N)C#N
|
| InChIKey |
MALUIHGUZRXIGV-UHFFFAOYSA-N
|
| MW [Da] |
134.14
Automatically obtained from RDkit software. |
| LogP |
1.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171532
Similarity: 0.8947
Similarity to MM171532
| Tanimoto metric | 0.8947 |
|---|---|
| Cosine metric | 0.9459 |
| Dice metric | 0.9444 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM405693
Similarity: 0.6939
Similarity to MM405693
| Tanimoto metric | 0.6939 |
|---|---|
| Cosine metric | 0.8222 |
| Dice metric | 0.8193 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM405376
Similarity: 0.6602
Similarity to MM405376
| Tanimoto metric | 0.6602 |
|---|---|
| Cosine metric | 0.8003 |
| Dice metric | 0.7953 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+62 more
