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DocumentationIdentifier: MM423307
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM423307 |
| SMILES |
C=COC=CC(CC)CC
|
| InChIKey |
JWOFLMOXGZXORF-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
3.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM169521
Similarity: 0.8906
Similarity to MM169521
| Tanimoto metric | 0.8906 |
|---|---|
| Cosine metric | 0.9437 |
| Dice metric | 0.9421 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM200509
Similarity: 0.8594
Similarity to MM200509
| Tanimoto metric | 0.8594 |
|---|---|
| Cosine metric | 0.927 |
| Dice metric | 0.9244 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113997
Similarity: 0.75
Similarity to MM113997
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+476 more
