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DocumentationIdentifier: MM158034
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM158034 |
| SMILES |
C=CC=CC(=C)CC=C
|
| InChIKey |
LNNUJWQDBZLSEZ-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
MM107633
Similarity: 0.8571
Similarity to MM107633
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 108.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM282160
Similarity: 0.8485
Similarity to MM282160
| Tanimoto metric | 0.8485 |
|---|---|
| Cosine metric | 0.9211 |
| Dice metric | 0.918 |
| MW: | 134.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM157414
Similarity: 0.8333
Similarity to MM157414
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9092 |
| Dice metric | 0.9091 |
| MW: | 122.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+384 more
