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DocumentationIdentifier: MM351089
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM351089 |
| SMILES |
C=CCCC(=C)C(O)C#N
|
| InChIKey |
URRPXNWDYCPPQJ-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
1.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM351095
Similarity: 0.7823
Similarity to MM351095
| Tanimoto metric | 0.7823 |
|---|---|
| Cosine metric | 0.8779 |
| Dice metric | 0.8778 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351093
Similarity: 0.708
Similarity to MM351093
| Tanimoto metric | 0.708 |
|---|---|
| Cosine metric | 0.8298 |
| Dice metric | 0.8291 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360733
Similarity: 0.6964
Similarity to MM360733
| Tanimoto metric | 0.6964 |
|---|---|
| Cosine metric | 0.8345 |
| Dice metric | 0.8211 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+187 more
