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DocumentationIdentifier: MM160870
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM160870 |
| SMILES |
CC(O)C(=O)C(C)C#N
|
| InChIKey |
AOAIQEFUFRZPCI-UHFFFAOYSA-N
|
| MW [Da] |
127.14
Automatically obtained from RDkit software. |
| LogP |
0.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM82663
Similarity: 0.8175
Similarity to MM82663
| Tanimoto metric | 0.8175 |
|---|---|
| Cosine metric | 0.9041 |
| Dice metric | 0.8996 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351161
Similarity: 0.7464
Similarity to MM351161
| Tanimoto metric | 0.7464 |
|---|---|
| Cosine metric | 0.8639 |
| Dice metric | 0.8548 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351695
Similarity: 0.7153
Similarity to MM351695
| Tanimoto metric | 0.7153 |
|---|---|
| Cosine metric | 0.8457 |
| Dice metric | 0.834 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+218 more
