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DocumentationIdentifier: MM65871
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM65871 |
| SMILES |
C=CNC(=O)C=C(C)CO
|
| InChIKey |
HLHDLWOHLHYKGN-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM143666
Similarity: 0.8174
Similarity to MM143666
| Tanimoto metric | 0.8174 |
|---|---|
| Cosine metric | 0.9041 |
| Dice metric | 0.8995 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158016
Similarity: 0.7304
Similarity to MM158016
| Tanimoto metric | 0.7304 |
|---|---|
| Cosine metric | 0.8547 |
| Dice metric | 0.8442 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM136253
Similarity: 0.713
Similarity to MM136253
| Tanimoto metric | 0.713 |
|---|---|
| Cosine metric | 0.8444 |
| Dice metric | 0.8325 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+330 more
