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DocumentationIdentifier: MM311245
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM311245 |
| SMILES |
C=CC(C)(C#N)C=CCC
|
| InChIKey |
MGIRLNNXKWFFHJ-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
MM241146
Similarity: 0.7711
Similarity to MM241146
| Tanimoto metric | 0.7711 |
|---|---|
| Cosine metric | 0.8732 |
| Dice metric | 0.8707 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM200772
Similarity: 0.7595
Similarity to MM200772
| Tanimoto metric | 0.7595 |
|---|---|
| Cosine metric | 0.8715 |
| Dice metric | 0.8633 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM138844
Similarity: 0.7342
Similarity to MM138844
| Tanimoto metric | 0.7342 |
|---|---|
| Cosine metric | 0.8568 |
| Dice metric | 0.8467 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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