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DocumentationIdentifier: MM83779
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM83779 |
| SMILES |
N#CC=CC(=O)CCC#N
|
| InChIKey |
FBQMCYNZQGBCBY-UHFFFAOYSA-N
|
| MW [Da] |
134.14
Automatically obtained from RDkit software. |
| LogP |
0.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157296
Similarity: 0.8523
Similarity to MM157296
| Tanimoto metric | 0.8523 |
|---|---|
| Cosine metric | 0.9232 |
| Dice metric | 0.9202 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM357811
Similarity: 0.7677
Similarity to MM357811
| Tanimoto metric | 0.7677 |
|---|---|
| Cosine metric | 0.8686 |
| Dice metric | 0.8686 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM83724
Similarity: 0.7103
Similarity to MM83724
| Tanimoto metric | 0.7103 |
|---|---|
| Cosine metric | 0.8312 |
| Dice metric | 0.8306 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+117 more
