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DocumentationIdentifier: MM430882
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM430882 |
| SMILES |
CC=CC=CC(C#N)=CC
|
| InChIKey |
BNFDCCPXEGGORY-UHFFFAOYSA-N
|
| MW [Da] |
133.19
Automatically obtained from RDkit software. |
| LogP |
2.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM201080
Similarity: 0.9114
Similarity to MM201080
| Tanimoto metric | 0.9114 |
|---|---|
| Cosine metric | 0.9547 |
| Dice metric | 0.9536 |
| MW: | 119.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM384051
Similarity: 0.8222
Similarity to MM384051
| Tanimoto metric | 0.8222 |
|---|---|
| Cosine metric | 0.903 |
| Dice metric | 0.9024 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM344508
Similarity: 0.8172
Similarity to MM344508
| Tanimoto metric | 0.8172 |
|---|---|
| Cosine metric | 0.9013 |
| Dice metric | 0.8994 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+288 more
