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DocumentationIdentifier: MM215336
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM215336 |
| SMILES |
C=COC=CCC=CC
|
| InChIKey |
TWVHMGBNKUPDDJ-UHFFFAOYSA-N
|
| MW [Da] |
124.18
Automatically obtained from RDkit software. |
| LogP |
2.63
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM453025
Similarity: 0.8727
Similarity to MM453025
| Tanimoto metric | 0.8727 |
|---|---|
| Cosine metric | 0.9342 |
| Dice metric | 0.932 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM126281
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| Tanimoto metric | 0.8542 |
|---|---|
| Cosine metric | 0.9242 |
| Dice metric | 0.9213 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM290455
Similarity: 0.8421
Similarity to MM290455
| Tanimoto metric | 0.8421 |
|---|---|
| Cosine metric | 0.9177 |
| Dice metric | 0.9143 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+623 more
