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DocumentationIdentifier: MM367308
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM367308 |
| SMILES |
C=CC(CC)C(C)CO
|
| InChIKey |
KKTLEGKIALPSAK-UHFFFAOYSA-N
|
| MW [Da] |
128.22
Automatically obtained from RDkit software. |
| LogP |
1.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM368386
Similarity: 0.8846
Similarity to MM368386
| Tanimoto metric | 0.8846 |
|---|---|
| Cosine metric | 0.9405 |
| Dice metric | 0.9388 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM336829
Similarity: 0.8194
Similarity to MM336829
| Tanimoto metric | 0.8194 |
|---|---|
| Cosine metric | 0.9021 |
| Dice metric | 0.9008 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM390438
Similarity: 0.7683
Similarity to MM390438
| Tanimoto metric | 0.7683 |
|---|---|
| Cosine metric | 0.87 |
| Dice metric | 0.869 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+568 more
