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DocumentationIdentifier: MM280871
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM280871 |
| SMILES |
CC#CC(=O)OC=CCO
|
| InChIKey |
NYKBVIMVSBIWFL-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157614
Similarity: 0.8646
Similarity to MM157614
| Tanimoto metric | 0.8646 |
|---|---|
| Cosine metric | 0.9298 |
| Dice metric | 0.9274 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM168890
Similarity: 0.8229
Similarity to MM168890
| Tanimoto metric | 0.8229 |
|---|---|
| Cosine metric | 0.9071 |
| Dice metric | 0.9029 |
| MW: | 126.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM280911
Similarity: 0.7757
Similarity to MM280911
| Tanimoto metric | 0.7757 |
|---|---|
| Cosine metric | 0.8737 |
| Dice metric | 0.8737 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+171 more
