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DocumentationIdentifier: MM94183
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM94183 |
| SMILES |
COCC(C#N)C(O)C#N
|
| InChIKey |
WKANXVNZKVHNNW-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM52173
Similarity: 0.7521
Similarity to MM52173
| Tanimoto metric | 0.7521 |
|---|---|
| Cosine metric | 0.8673 |
| Dice metric | 0.8585 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM50002
Similarity: 0.735
Similarity to MM50002
| Tanimoto metric | 0.735 |
|---|---|
| Cosine metric | 0.8573 |
| Dice metric | 0.8473 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM53241
Similarity: 0.7265
Similarity to MM53241
| Tanimoto metric | 0.7265 |
|---|---|
| Cosine metric | 0.8523 |
| Dice metric | 0.8416 |
| MW: | 126.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+132 more
