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DocumentationIdentifier: MM455421
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM455421 |
| SMILES |
C=CCC#CC=CCC#N
|
| InChIKey |
CMXCJCXTVHCNGT-UHFFFAOYSA-N
|
| MW [Da] |
131.18
Automatically obtained from RDkit software. |
| LogP |
2.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM215793
Similarity: 0.9
Similarity to MM215793
| Tanimoto metric | 0.9 |
|---|---|
| Cosine metric | 0.9487 |
| Dice metric | 0.9474 |
| MW: | 119.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM454607
Similarity: 0.8438
Similarity to MM454607
| Tanimoto metric | 0.8438 |
|---|---|
| Cosine metric | 0.9154 |
| Dice metric | 0.9153 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM455425
Similarity: 0.8182
Similarity to MM455425
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9 |
| Dice metric | 0.9 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+839 more
