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DocumentationIdentifier: MM60951
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM60951 |
| SMILES |
C=COCC(NC)C(C)O
|
| InChIKey |
LYPVPZVEPNNAQM-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM60020
Similarity: 0.6901
Similarity to MM60020
| Tanimoto metric | 0.6901 |
|---|---|
| Cosine metric | 0.8169 |
| Dice metric | 0.8167 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM62078
Similarity: 0.6828
Similarity to MM62078
| Tanimoto metric | 0.6828 |
|---|---|
| Cosine metric | 0.8115 |
| Dice metric | 0.8115 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM198696
Similarity: 0.6748
Similarity to MM198696
| Tanimoto metric | 0.6748 |
|---|---|
| Cosine metric | 0.8215 |
| Dice metric | 0.8058 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+291 more
