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DocumentationIdentifier: MM270527
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM270527 |
| SMILES |
C=C(C#N)C(C)=CC(C)C
|
| InChIKey |
FMPBNVKEROFEJV-UHFFFAOYSA-N
|
| MW [Da] |
135.21
Automatically obtained from RDkit software. |
| LogP |
2.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM175579
Similarity: 0.8286
Similarity to MM175579
| Tanimoto metric | 0.8286 |
|---|---|
| Cosine metric | 0.9103 |
| Dice metric | 0.9063 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360899
Similarity: 0.7565
Similarity to MM360899
| Tanimoto metric | 0.7565 |
|---|---|
| Cosine metric | 0.8621 |
| Dice metric | 0.8614 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360893
Similarity: 0.7373
Similarity to MM360893
| Tanimoto metric | 0.7373 |
|---|---|
| Cosine metric | 0.849 |
| Dice metric | 0.8488 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+393 more
