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DocumentationIdentifier: MM60045
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM60045 |
| SMILES |
C=C(C)NC(=O)C=CNC
|
| InChIKey |
DVJXXXBMEZTQSO-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM264561
Similarity: 0.7402
Similarity to MM264561
| Tanimoto metric | 0.7402 |
|---|---|
| Cosine metric | 0.8509 |
| Dice metric | 0.8507 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM265282
Similarity: 0.7218
Similarity to MM265282
| Tanimoto metric | 0.7218 |
|---|---|
| Cosine metric | 0.8398 |
| Dice metric | 0.8384 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158020
Similarity: 0.7037
Similarity to MM158020
| Tanimoto metric | 0.7037 |
|---|---|
| Cosine metric | 0.8389 |
| Dice metric | 0.8261 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+268 more
