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DocumentationIdentifier: MM161312
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM161312 |
| SMILES |
C=CC(=C)C(=C)C(=C)C
|
| InChIKey |
IOBPQFICNALHOX-UHFFFAOYSA-N
|
| MW [Da] |
120.2
Automatically obtained from RDkit software. |
| LogP |
2.86
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173832
Similarity: 0.8235
Similarity to MM173832
| Tanimoto metric | 0.8235 |
|---|---|
| Cosine metric | 0.9037 |
| Dice metric | 0.9032 |
| MW: | 120.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM254251
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| Tanimoto metric | 0.8205 |
|---|---|
| Cosine metric | 0.9058 |
| Dice metric | 0.9014 |
| MW: | 134.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM352675
Similarity: 0.8
Similarity to MM352675
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 134.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+100 more
