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DocumentationIdentifier: MM78039
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM78039 |
| SMILES |
COCC(C#N)(C#N)CO
|
| InChIKey |
JZIOIQHZXAZINX-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
MM42217
Similarity: 0.8481
Similarity to MM42217
| Tanimoto metric | 0.8481 |
|---|---|
| Cosine metric | 0.9209 |
| Dice metric | 0.9178 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61443
Similarity: 0.8171
Similarity to MM61443
| Tanimoto metric | 0.8171 |
|---|---|
| Cosine metric | 0.901 |
| Dice metric | 0.8993 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM77947
Similarity: 0.7882
Similarity to MM77947
| Tanimoto metric | 0.7882 |
|---|---|
| Cosine metric | 0.8823 |
| Dice metric | 0.8816 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+209 more
