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DocumentationIdentifier: MM64854
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM64854 |
| SMILES |
CC(CO)CC(=O)CC#N
|
| InChIKey |
ZNITXSMNPKTZJW-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42837
Similarity: 0.7553
Similarity to MM42837
| Tanimoto metric | 0.7553 |
|---|---|
| Cosine metric | 0.8691 |
| Dice metric | 0.8606 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM245991
Similarity: 0.6857
Similarity to MM245991
| Tanimoto metric | 0.6857 |
|---|---|
| Cosine metric | 0.8151 |
| Dice metric | 0.8136 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328413
Similarity: 0.6827
Similarity to MM328413
| Tanimoto metric | 0.6827 |
|---|---|
| Cosine metric | 0.8137 |
| Dice metric | 0.8114 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+265 more
