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DocumentationIdentifier: MM359273
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM359273 |
| SMILES |
CC#CCC(=O)C#CC#N
|
| InChIKey |
QEENXHCFUWTTRJ-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
MM15590
Similarity: 0.9359
Similarity to MM15590
| Tanimoto metric | 0.9359 |
|---|---|
| Cosine metric | 0.9674 |
| Dice metric | 0.9669 |
| MW: | 117.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM281360
Similarity: 0.8902
Similarity to MM281360
| Tanimoto metric | 0.8902 |
|---|---|
| Cosine metric | 0.942 |
| Dice metric | 0.9419 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15766
Similarity: 0.7927
Similarity to MM15766
| Tanimoto metric | 0.7927 |
|---|---|
| Cosine metric | 0.886 |
| Dice metric | 0.8844 |
| MW: | 117.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+131 more
