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DocumentationIdentifier: MM405695
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM405695 |
| SMILES |
COC=CC=C(C=O)C=O
|
| InChIKey |
NVTVUSKNDMCYHR-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
0.47
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: 0.8947
Similarity to MM171531
| Tanimoto metric | 0.8947 |
|---|---|
| Cosine metric | 0.9459 |
| Dice metric | 0.9444 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM371546
Similarity: 0.8193
Similarity to MM371546
| Tanimoto metric | 0.8193 |
|---|---|
| Cosine metric | 0.9007 |
| Dice metric | 0.9007 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM326135
Similarity: 0.6415
Similarity to MM326135
| Tanimoto metric | 0.6415 |
|---|---|
| Cosine metric | 0.7879 |
| Dice metric | 0.7816 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+44 more
