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DocumentationIdentifier: MM94130
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM94130 |
| SMILES |
COCC(C#N)C(C)OC
|
| InChIKey |
BACKBXIJUODNQQ-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM196958
Similarity: 0.8774
Similarity to MM196958
| Tanimoto metric | 0.8774 |
|---|---|
| Cosine metric | 0.9367 |
| Dice metric | 0.9347 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM52173
Similarity: 0.8302
Similarity to MM52173
| Tanimoto metric | 0.8302 |
|---|---|
| Cosine metric | 0.9111 |
| Dice metric | 0.9072 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM406855
Similarity: 0.7121
Similarity to MM406855
| Tanimoto metric | 0.7121 |
|---|---|
| Cosine metric | 0.8335 |
| Dice metric | 0.8319 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+390 more
