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DocumentationIdentifier: MM226442
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM226442 |
| SMILES |
CC(O)(C#N)CC(O)C#N
|
| InChIKey |
SJHNYSFNHPJVMB-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM226438
Similarity: 0.7981
Similarity to MM226438
| Tanimoto metric | 0.7981 |
|---|---|
| Cosine metric | 0.8887 |
| Dice metric | 0.8877 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM229161
Similarity: 0.7876
Similarity to MM229161
| Tanimoto metric | 0.7876 |
|---|---|
| Cosine metric | 0.8816 |
| Dice metric | 0.8812 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41888
Similarity: 0.7755
Similarity to MM41888
| Tanimoto metric | 0.7755 |
|---|---|
| Cosine metric | 0.8806 |
| Dice metric | 0.8736 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+504 more
