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DocumentationIdentifier: MM405410
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM405410 |
| SMILES |
COC=CC=C(C=O)OC
|
| InChIKey |
VWIIVFCEWRXKTF-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.88
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM116849
Similarity: 0.7582
Similarity to MM116849
| Tanimoto metric | 0.7582 |
|---|---|
| Cosine metric | 0.8708 |
| Dice metric | 0.8625 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM405496
Similarity: 0.6167
Similarity to MM405496
| Tanimoto metric | 0.6167 |
|---|---|
| Cosine metric | 0.7644 |
| Dice metric | 0.7629 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM202041
Similarity: 0.6161
Similarity to MM202041
| Tanimoto metric | 0.6161 |
|---|---|
| Cosine metric | 0.7624 |
| Dice metric | 0.7624 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+190 more
