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DocumentationIdentifier: MM380054
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM380054 |
| SMILES |
CCC#CC(C=O)OC=O
|
| InChIKey |
LNQQZOZXXPPZFK-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM15742
Similarity: 0.7008
Similarity to MM15742
| Tanimoto metric | 0.7008 |
|---|---|
| Cosine metric | 0.8244 |
| Dice metric | 0.8241 |
| MW: | 137.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158401
Similarity: 0.6857
Similarity to MM158401
| Tanimoto metric | 0.6857 |
|---|---|
| Cosine metric | 0.8281 |
| Dice metric | 0.8136 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116233
Similarity: 0.6476
Similarity to MM116233
| Tanimoto metric | 0.6476 |
|---|---|
| Cosine metric | 0.8047 |
| Dice metric | 0.7861 |
| MW: | 112.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+41 more
