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DocumentationIdentifier: MM343473
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM343473 |
| SMILES |
CNC(C#N)C=CC(C)C
|
| InChIKey |
GBIPXKKVHRPAHO-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.31
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM455861
Similarity: 0.7917
Similarity to MM455861
| Tanimoto metric | 0.7917 |
|---|---|
| Cosine metric | 0.8898 |
| Dice metric | 0.8837 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM424640
Similarity: 0.7767
Similarity to MM424640
| Tanimoto metric | 0.7767 |
|---|---|
| Cosine metric | 0.875 |
| Dice metric | 0.8743 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM424006
Similarity: 0.7407
Similarity to MM424006
| Tanimoto metric | 0.7407 |
|---|---|
| Cosine metric | 0.8511 |
| Dice metric | 0.8511 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+289 more
