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DocumentationIdentifier: MM170861
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM170861 |
| SMILES |
CC#CC#CC(C)C#N
|
| InChIKey |
ASYZMZFOKYTXPZ-UHFFFAOYSA-N
|
| MW [Da] |
117.15
Automatically obtained from RDkit software. |
| LogP |
1.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM369102
Similarity: 0.9649
Similarity to MM369102
| Tanimoto metric | 0.9649 |
|---|---|
| Cosine metric | 0.9823 |
| Dice metric | 0.9821 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM369191
Similarity: 0.9016
Similarity to MM369191
| Tanimoto metric | 0.9016 |
|---|---|
| Cosine metric | 0.9495 |
| Dice metric | 0.9483 |
| MW: | 127.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM369153
Similarity: 0.873
Similarity to MM369153
| Tanimoto metric | 0.873 |
|---|---|
| Cosine metric | 0.9344 |
| Dice metric | 0.9322 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+639 more
