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DocumentationIdentifier: MM284298
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM284298 |
| SMILES |
C=CC=C(C)C=CCC=C
|
| InChIKey |
IGCGKNNGGMWVPP-UHFFFAOYSA-N
|
| MW [Da] |
134.22
Automatically obtained from RDkit software. |
| LogP |
3.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM159231
Similarity: 0.871
Similarity to MM159231
| Tanimoto metric | 0.871 |
|---|---|
| Cosine metric | 0.9333 |
| Dice metric | 0.931 |
| MW: | 122.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM170344
Similarity: 0.8387
Similarity to MM170344
| Tanimoto metric | 0.8387 |
|---|---|
| Cosine metric | 0.9158 |
| Dice metric | 0.9123 |
| MW: | 122.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM367268
Similarity: 0.8125
Similarity to MM367268
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.8987 |
| Dice metric | 0.8966 |
| MW: | 136.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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