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DocumentationIdentifier: MM95989
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM95989 |
| SMILES |
CCC(O)C(=CC#N)CO
|
| InChIKey |
JARKYQOMAOZEJQ-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM175170
Similarity: 0.7619
Similarity to MM175170
| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.8729 |
| Dice metric | 0.8649 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM382898
Similarity: 0.7273
Similarity to MM382898
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8423 |
| Dice metric | 0.8421 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM178866
Similarity: 0.6587
Similarity to MM178866
| Tanimoto metric | 0.6587 |
|---|---|
| Cosine metric | 0.8116 |
| Dice metric | 0.7943 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+367 more
