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DocumentationIdentifier: MM451697
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM451697 |
| SMILES |
O=CCCCC=COC=O
|
| InChIKey |
YSDPWMJRSSHJDI-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
1.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM451695
Similarity: 0.7794
Similarity to MM451695
| Tanimoto metric | 0.7794 |
|---|---|
| Cosine metric | 0.8775 |
| Dice metric | 0.876 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM214995
Similarity: 0.7286
Similarity to MM214995
| Tanimoto metric | 0.7286 |
|---|---|
| Cosine metric | 0.8444 |
| Dice metric | 0.843 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM451519
Similarity: 0.7067
Similarity to MM451519
| Tanimoto metric | 0.7067 |
|---|---|
| Cosine metric | 0.8281 |
| Dice metric | 0.8281 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+481 more
