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DocumentationIdentifier: MM381073
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM381073 |
| SMILES |
C=CC(C)C(=CF)CCN
|
| InChIKey |
OWTPEFKEXJYMMG-UHFFFAOYSA-N
|
| MW [Da] |
143.21
Automatically obtained from RDkit software. |
| LogP |
2.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM401049
Similarity: 0.75
Similarity to MM401049
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8591 |
| Dice metric | 0.8571 |
| MW: | 143.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM380914
Similarity: 0.7209
Similarity to MM380914
| Tanimoto metric | 0.7209 |
|---|---|
| Cosine metric | 0.8378 |
| Dice metric | 0.8378 |
| MW: | 143.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM294583
Similarity: 0.7008
Similarity to MM294583
| Tanimoto metric | 0.7008 |
|---|---|
| Cosine metric | 0.8244 |
| Dice metric | 0.8241 |
| MW: | 143.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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