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DocumentationIdentifier: MM113912
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM113912 |
| SMILES |
CC=CCC(C)=CC
|
| InChIKey |
HZRLHHXGWWPMRV-UHFFFAOYSA-N
|
| MW [Da] |
110.2
Automatically obtained from RDkit software. |
| LogP |
2.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM168915
Similarity: 0.84
Similarity to MM168915
| Tanimoto metric | 0.84 |
|---|---|
| Cosine metric | 0.9165 |
| Dice metric | 0.913 |
| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM98285
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| Tanimoto metric | 0.8095 |
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| Cosine metric | 0.8997 |
| Dice metric | 0.8947 |
| MW: | 96.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM143228
Similarity: 0.8077
Similarity to MM143228
| Tanimoto metric | 0.8077 |
|---|---|
| Cosine metric | 0.8987 |
| Dice metric | 0.8936 |
| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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