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DocumentationIdentifier: MM66918
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM66918 |
| SMILES |
CC(=O)OC(C#N)CC=O
|
| InChIKey |
HGIARNLBDSPMQQ-UHFFFAOYSA-N
|
| MW [Da] |
141.13
Automatically obtained from RDkit software. |
| LogP |
0.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM66919
Similarity: 0.6552
Similarity to MM66919
| Tanimoto metric | 0.6552 |
|---|---|
| Cosine metric | 0.7918 |
| Dice metric | 0.7917 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM272610
Similarity: 0.6333
Similarity to MM272610
| Tanimoto metric | 0.6333 |
|---|---|
| Cosine metric | 0.7755 |
| Dice metric | 0.7755 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM329445
Similarity: 0.6275
Similarity to MM329445
| Tanimoto metric | 0.6275 |
|---|---|
| Cosine metric | 0.7712 |
| Dice metric | 0.7711 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+46 more
