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DocumentationIdentifier: MM366169
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM366169 |
| SMILES |
C=C(C=CC=CCC)OC
|
| InChIKey |
RDUUONDUTSRKPH-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.67
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM170211
Similarity: 0.8267
Similarity to MM170211
| Tanimoto metric | 0.8267 |
|---|---|
| Cosine metric | 0.9092 |
| Dice metric | 0.9051 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM282185
Similarity: 0.7079
Similarity to MM282185
| Tanimoto metric | 0.7079 |
|---|---|
| Cosine metric | 0.829 |
| Dice metric | 0.8289 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM114296
Similarity: 0.6933
Similarity to MM114296
| Tanimoto metric | 0.6933 |
|---|---|
| Cosine metric | 0.8327 |
| Dice metric | 0.8189 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+330 more
