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DocumentationIdentifier: MM403085
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM403085 |
| SMILES |
C=CC(CC)OCCCC
|
| InChIKey |
TZAGOPMLHJGEPI-UHFFFAOYSA-N
|
| MW [Da] |
142.24
Automatically obtained from RDkit software. |
| LogP |
2.77
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM198853
Similarity: 0.8846
Similarity to MM198853
| Tanimoto metric | 0.8846 |
|---|---|
| Cosine metric | 0.9405 |
| Dice metric | 0.9388 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM403525
Similarity: 0.8256
Similarity to MM403525
| Tanimoto metric | 0.8256 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9045 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM326775
Similarity: 0.8023
Similarity to MM326775
| Tanimoto metric | 0.8023 |
|---|---|
| Cosine metric | 0.8903 |
| Dice metric | 0.8903 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+876 more
