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DocumentationIdentifier: MM369417
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM369417 |
| SMILES |
C=CC=COCC(=O)CC
|
| InChIKey |
SNNLVKZLLHSKBL-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167429
Similarity: 0.8706
Similarity to MM167429
| Tanimoto metric | 0.8706 |
|---|---|
| Cosine metric | 0.9331 |
| Dice metric | 0.9308 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91707
Similarity: 0.7629
Similarity to MM91707
| Tanimoto metric | 0.7629 |
|---|---|
| Cosine metric | 0.8655 |
| Dice metric | 0.8655 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM369643
Similarity: 0.74
Similarity to MM369643
| Tanimoto metric | 0.74 |
|---|---|
| Cosine metric | 0.8508 |
| Dice metric | 0.8506 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+145 more
