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DocumentationIdentifier: MM27731
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM27731 |
| SMILES |
C=CC(C=C)=CF
|
| InChIKey |
IEMXGFQUGDJYIR-UHFFFAOYSA-N
|
| MW [Da] |
98.12
Automatically obtained from RDkit software. |
| LogP |
2.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM24877
Similarity: 0.8235
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| Tanimoto metric | 0.8235 |
|---|---|
| Cosine metric | 0.9075 |
| Dice metric | 0.9032 |
| MW: | 86.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM116651
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| Tanimoto metric | 0.7234 |
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| Cosine metric | 0.8505 |
| Dice metric | 0.8395 |
| MW: | 116.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM98307
Similarity: 0.6667
Similarity to MM98307
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8003 |
| Dice metric | 0.8 |
| MW: | 104.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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