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DocumentationIdentifier: MM59219
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM59219 |
| SMILES |
CC(C)C(C)(O)C(O)C#N
|
| InChIKey |
KSHXJOUMNXRDBM-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.28
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: 0.7786
Similarity to MM41500
| Tanimoto metric | 0.7786 |
|---|---|
| Cosine metric | 0.8824 |
| Dice metric | 0.8755 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76602
Similarity: 0.7183
Similarity to MM76602
| Tanimoto metric | 0.7183 |
|---|---|
| Cosine metric | 0.8383 |
| Dice metric | 0.8361 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58743
Similarity: 0.7095
Similarity to MM58743
| Tanimoto metric | 0.7095 |
|---|---|
| Cosine metric | 0.8306 |
| Dice metric | 0.83 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+211 more
