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DocumentationIdentifier: MM362449
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM362449 |
| SMILES |
CCOCC(C)C(O)C#N
|
| InChIKey |
PXYRBZLQTNXNSS-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM50002
Similarity: 0.8269
Similarity to MM50002
| Tanimoto metric | 0.8269 |
|---|---|
| Cosine metric | 0.9094 |
| Dice metric | 0.9053 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM161979
Similarity: 0.6923
Similarity to MM161979
| Tanimoto metric | 0.6923 |
|---|---|
| Cosine metric | 0.8321 |
| Dice metric | 0.8182 |
| MW: | 132.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84532
Similarity: 0.6825
Similarity to MM84532
| Tanimoto metric | 0.6825 |
|---|---|
| Cosine metric | 0.8115 |
| Dice metric | 0.8113 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+276 more
