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DocumentationIdentifier: MM94019
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM94019 |
| SMILES |
COCC(OC)C(O)C#N
|
| InChIKey |
CQMGBXFIXKLBAQ-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-0.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM406759
Similarity: 0.7576
Similarity to MM406759
| Tanimoto metric | 0.7576 |
|---|---|
| Cosine metric | 0.8621 |
| Dice metric | 0.8621 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM50004
Similarity: 0.735
Similarity to MM50004
| Tanimoto metric | 0.735 |
|---|---|
| Cosine metric | 0.8573 |
| Dice metric | 0.8473 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM196968
Similarity: 0.6929
Similarity to MM196968
| Tanimoto metric | 0.6929 |
|---|---|
| Cosine metric | 0.8218 |
| Dice metric | 0.8186 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+243 more
