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DocumentationIdentifier: MM357444
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM357444 |
| SMILES |
COC=CC(C)OCC#N
|
| InChIKey |
LPHCNSHMZUZCKU-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
1.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157685
Similarity: 0.7907
Similarity to MM157685
| Tanimoto metric | 0.7907 |
|---|---|
| Cosine metric | 0.8892 |
| Dice metric | 0.8831 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM281491
Similarity: 0.701
Similarity to MM281491
| Tanimoto metric | 0.701 |
|---|---|
| Cosine metric | 0.825 |
| Dice metric | 0.8242 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM357228
Similarity: 0.697
Similarity to MM357228
| Tanimoto metric | 0.697 |
|---|---|
| Cosine metric | 0.8217 |
| Dice metric | 0.8214 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+392 more
