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DocumentationIdentifier: MM353086
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM353086 |
| SMILES |
C=C(CCCCC)C(C)O
|
| InChIKey |
DMKLYARVVDTRTB-UHFFFAOYSA-N
|
| MW [Da] |
142.24
Automatically obtained from RDkit software. |
| LogP |
2.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM352778
Similarity: 0.9048
Similarity to MM352778
| Tanimoto metric | 0.9048 |
|---|---|
| Cosine metric | 0.9512 |
| Dice metric | 0.95 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM331295
Similarity: 0.8667
Similarity to MM331295
| Tanimoto metric | 0.8667 |
|---|---|
| Cosine metric | 0.9286 |
| Dice metric | 0.9286 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM352982
Similarity: 0.7835
Similarity to MM352982
| Tanimoto metric | 0.7835 |
|---|---|
| Cosine metric | 0.879 |
| Dice metric | 0.8786 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+629 more
