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DocumentationIdentifier: MM367026
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM367026 |
| SMILES |
C=C(C#N)CCCC=CC
|
| InChIKey |
ZEJGMDZSHHHYKF-UHFFFAOYSA-N
|
| MW [Da] |
135.21
Automatically obtained from RDkit software. |
| LogP |
2.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM166918
Similarity: 0.8235
Similarity to MM166918
| Tanimoto metric | 0.8235 |
|---|---|
| Cosine metric | 0.9075 |
| Dice metric | 0.9032 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM414037
Similarity: 0.7857
Similarity to MM414037
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8839 |
| Dice metric | 0.88 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113303
Similarity: 0.7206
Similarity to MM113303
| Tanimoto metric | 0.7206 |
|---|---|
| Cosine metric | 0.8489 |
| Dice metric | 0.8376 |
| MW: | 109.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+440 more
