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DocumentationIdentifier: MM331262
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM331262 |
| SMILES |
CC=C(C)CC(C#N)C#N
|
| InChIKey |
MWORFTAIJAUPJH-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
2.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142955
Similarity: 0.8864
Similarity to MM142955
| Tanimoto metric | 0.8864 |
|---|---|
| Cosine metric | 0.9415 |
| Dice metric | 0.9398 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM248376
Similarity: 0.7723
Similarity to MM248376
| Tanimoto metric | 0.7723 |
|---|---|
| Cosine metric | 0.8716 |
| Dice metric | 0.8715 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM265648
Similarity: 0.7647
Similarity to MM265648
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8669 |
| Dice metric | 0.8667 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+331 more
