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DocumentationIdentifier: MM58050
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM58050 |
| SMILES |
CC(O)CCC(C)(O)C#N
|
| InChIKey |
QYOZEBNMQZMKGM-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
MM60626
Similarity: 0.8039
Similarity to MM60626
| Tanimoto metric | 0.8039 |
|---|---|
| Cosine metric | 0.8932 |
| Dice metric | 0.8913 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM227856
Similarity: 0.8039
Similarity to MM227856
| Tanimoto metric | 0.8039 |
|---|---|
| Cosine metric | 0.8932 |
| Dice metric | 0.8913 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM138339
Similarity: 0.7959
Similarity to MM138339
| Tanimoto metric | 0.7959 |
|---|---|
| Cosine metric | 0.8921 |
| Dice metric | 0.8864 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+357 more
