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DocumentationIdentifier: MM116651
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM116651 |
| SMILES |
C=CC(C=CF)=CF
|
| InChIKey |
XSAACUYFYPFABC-UHFFFAOYSA-N
|
| MW [Da] |
116.11
Automatically obtained from RDkit software. |
| LogP |
2.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM98307
Similarity: 0.766
Similarity to MM98307
| Tanimoto metric | 0.766 |
|---|---|
| Cosine metric | 0.8752 |
| Dice metric | 0.8675 |
| MW: | 104.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM98243
Similarity: 0.766
Similarity to MM98243
| Tanimoto metric | 0.766 |
|---|---|
| Cosine metric | 0.8752 |
| Dice metric | 0.8675 |
| MW: | 98.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM27731
Similarity: 0.7234
Similarity to MM27731
| Tanimoto metric | 0.7234 |
|---|---|
| Cosine metric | 0.8505 |
| Dice metric | 0.8395 |
| MW: | 98.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+163 more
