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DocumentationIdentifier: MM292919
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM292919 |
| SMILES |
C=C(CC=O)C(C)CCC
|
| InChIKey |
NTZHVKCKSNBPNO-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173047
Similarity: 0.8315
Similarity to MM173047
| Tanimoto metric | 0.8315 |
|---|---|
| Cosine metric | 0.9118 |
| Dice metric | 0.908 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293427
Similarity: 0.729
Similarity to MM293427
| Tanimoto metric | 0.729 |
|---|---|
| Cosine metric | 0.8438 |
| Dice metric | 0.8432 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262494
Similarity: 0.7172
Similarity to MM262494
| Tanimoto metric | 0.7172 |
|---|---|
| Cosine metric | 0.8362 |
| Dice metric | 0.8353 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+516 more
