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DocumentationIdentifier: MM371546
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM371546 |
| SMILES |
C=COC=CC=C(C)C=O
|
| InChIKey |
YOUNNORUBZPSOD-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
1.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171531
Similarity: 0.9067
Similarity to MM171531
| Tanimoto metric | 0.9067 |
|---|---|
| Cosine metric | 0.9522 |
| Dice metric | 0.951 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM405695
Similarity: 0.8193
Similarity to MM405695
| Tanimoto metric | 0.8193 |
|---|---|
| Cosine metric | 0.9007 |
| Dice metric | 0.9007 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM457437
Similarity: 0.6883
Similarity to MM457437
| Tanimoto metric | 0.6883 |
|---|---|
| Cosine metric | 0.8252 |
| Dice metric | 0.8154 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+373 more
