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DocumentationIdentifier: MM228130
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM228130 |
| SMILES |
CC(=O)CCC(C)(O)C#N
|
| InChIKey |
GZYPRQUDISJZRN-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.63
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138406
Similarity: 0.7414
Similarity to MM138406
| Tanimoto metric | 0.7414 |
|---|---|
| Cosine metric | 0.861 |
| Dice metric | 0.8515 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239710
Similarity: 0.6984
Similarity to MM239710
| Tanimoto metric | 0.6984 |
|---|---|
| Cosine metric | 0.8254 |
| Dice metric | 0.8224 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM43730
Similarity: 0.681
Similarity to MM43730
| Tanimoto metric | 0.681 |
|---|---|
| Cosine metric | 0.8252 |
| Dice metric | 0.8103 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+277 more
