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DocumentationIdentifier: MM281225
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM281225 |
| SMILES |
C#CCC(=O)CC#CC#N
|
| InChIKey |
NXDULHYCVNMPCF-UHFFFAOYSA-N
|
| MW [Da] |
131.13
Automatically obtained from RDkit software. |
| LogP |
0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM169252
Similarity: 0.9189
Similarity to MM169252
| Tanimoto metric | 0.9189 |
|---|---|
| Cosine metric | 0.9586 |
| Dice metric | 0.9577 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM281107
Similarity: 0.7727
Similarity to MM281107
| Tanimoto metric | 0.7727 |
|---|---|
| Cosine metric | 0.8729 |
| Dice metric | 0.8718 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM157089
Similarity: 0.7568
Similarity to MM157089
| Tanimoto metric | 0.7568 |
|---|---|
| Cosine metric | 0.8699 |
| Dice metric | 0.8615 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+195 more
