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DocumentationIdentifier: MM420599
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM420599 |
| SMILES |
C=CC(=CC)CC=CC#N
|
| InChIKey |
JXGVMDYRKFZTJW-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
MM168808
Similarity: 0.7619
Similarity to MM168808
| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.8729 |
| Dice metric | 0.8649 |
| MW: | 119.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM200381
Similarity: 0.7619
Similarity to MM200381
| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.8729 |
| Dice metric | 0.8649 |
| MW: | 122.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM280729
Similarity: 0.7333
Similarity to MM280729
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8487 |
| Dice metric | 0.8462 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+276 more
