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DocumentationIdentifier: MM371353
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM371353 |
| SMILES |
CCCC=CC=C(C)OC
|
| InChIKey |
FFJZKBVJOWFJCU-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171441
Similarity: 0.85
Similarity to MM171441
| Tanimoto metric | 0.85 |
|---|---|
| Cosine metric | 0.922 |
| Dice metric | 0.9189 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM285194
Similarity: 0.7447
Similarity to MM285194
| Tanimoto metric | 0.7447 |
|---|---|
| Cosine metric | 0.8539 |
| Dice metric | 0.8537 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM371355
Similarity: 0.7312
Similarity to MM371355
| Tanimoto metric | 0.7312 |
|---|---|
| Cosine metric | 0.8447 |
| Dice metric | 0.8447 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+434 more
