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DocumentationIdentifier: MM76602
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM76602 |
| SMILES |
CCC(O)(CC)C(O)C#N
|
| InChIKey |
WJNKJQVEKYELMM-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM41500
Similarity: 0.9027
Similarity to MM41500
| Tanimoto metric | 0.9027 |
|---|---|
| Cosine metric | 0.9501 |
| Dice metric | 0.9488 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58743
Similarity: 0.7669
Similarity to MM58743
| Tanimoto metric | 0.7669 |
|---|---|
| Cosine metric | 0.8687 |
| Dice metric | 0.8681 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM59219
Similarity: 0.7183
Similarity to MM59219
| Tanimoto metric | 0.7183 |
|---|---|
| Cosine metric | 0.8383 |
| Dice metric | 0.8361 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+218 more
