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DocumentationIdentifier: MM360649
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM360649 |
| SMILES |
CN=CNC(C)=CCC=O
|
| InChIKey |
VGEOXNKYDHJFLE-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM283865
Similarity: 0.7168
Similarity to MM283865
| Tanimoto metric | 0.7168 |
|---|---|
| Cosine metric | 0.8358 |
| Dice metric | 0.8351 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46511
Similarity: 0.6772
Similarity to MM46511
| Tanimoto metric | 0.6772 |
|---|---|
| Cosine metric | 0.8086 |
| Dice metric | 0.8075 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360607
Similarity: 0.6694
Similarity to MM360607
| Tanimoto metric | 0.6694 |
|---|---|
| Cosine metric | 0.802 |
| Dice metric | 0.802 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+266 more
