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DocumentationIdentifier: MM409719
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM409719 |
| SMILES |
C#CC(C#N)CC#CC#N
|
| InChIKey |
ORSXCTIJYFJULO-UHFFFAOYSA-N
|
| MW [Da] |
128.13
Automatically obtained from RDkit software. |
| LogP |
0.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199729
Similarity: 0.85
Similarity to MM199729
| Tanimoto metric | 0.85 |
|---|---|
| Cosine metric | 0.922 |
| Dice metric | 0.9189 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM409735
Similarity: 0.7778
Similarity to MM409735
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.875 |
| Dice metric | 0.875 |
| MW: | 127.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM409663
Similarity: 0.7727
Similarity to MM409663
| Tanimoto metric | 0.7727 |
|---|---|
| Cosine metric | 0.8721 |
| Dice metric | 0.8718 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+89 more
