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DocumentationIdentifier: MM387299
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM387299 |
| SMILES |
C=COC=C(C=CC)CC
|
| InChIKey |
HKZAOPQYRNCTKJ-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
3.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM387254
Similarity: 0.7757
Similarity to MM387254
| Tanimoto metric | 0.7757 |
|---|---|
| Cosine metric | 0.8737 |
| Dice metric | 0.8737 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM201768
Similarity: 0.7447
Similarity to MM201768
| Tanimoto metric | 0.7447 |
|---|---|
| Cosine metric | 0.8629 |
| Dice metric | 0.8537 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159807
Similarity: 0.7128
Similarity to MM159807
| Tanimoto metric | 0.7128 |
|---|---|
| Cosine metric | 0.8443 |
| Dice metric | 0.8323 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+498 more
