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DocumentationIdentifier: MM78190
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM78190 |
| SMILES |
N#CCC(C#N)(C#N)C#N
|
| InChIKey |
SCIYPPJMKCXIGM-UHFFFAOYSA-N
|
| MW [Da] |
130.11
Automatically obtained from RDkit software. |
| LogP |
0.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42367
Similarity: 0.9286
Similarity to MM42367
| Tanimoto metric | 0.9286 |
|---|---|
| Cosine metric | 0.9636 |
| Dice metric | 0.963 |
| MW: | 119.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76702
Similarity: 0.791
Similarity to MM76702
| Tanimoto metric | 0.791 |
|---|---|
| Cosine metric | 0.8853 |
| Dice metric | 0.8833 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM53121
Similarity: 0.7857
Similarity to MM53121
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 119.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+25 more
