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DocumentationIdentifier: MM450718
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM450718 |
| SMILES |
COC=COCC#CC=O
|
| InChIKey |
SVLBVANIRWJWLF-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
0.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM214137
Similarity: 0.7846
Similarity to MM214137
| Tanimoto metric | 0.7846 |
|---|---|
| Cosine metric | 0.8858 |
| Dice metric | 0.8793 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM452539
Similarity: 0.7612
Similarity to MM452539
| Tanimoto metric | 0.7612 |
|---|---|
| Cosine metric | 0.8689 |
| Dice metric | 0.8644 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM126449
Similarity: 0.7538
Similarity to MM126449
| Tanimoto metric | 0.7538 |
|---|---|
| Cosine metric | 0.8682 |
| Dice metric | 0.8596 |
| MW: | 110.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+438 more
