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DocumentationIdentifier: MM334298
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM334298 |
| SMILES |
C=CC(=NC)NC(=C)CO
|
| InChIKey |
RHRKCISEDFWNDS-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM143115
Similarity: 0.7305
Similarity to MM143115
| Tanimoto metric | 0.7305 |
|---|---|
| Cosine metric | 0.8547 |
| Dice metric | 0.8443 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM334452
Similarity: 0.6481
Similarity to MM334452
| Tanimoto metric | 0.6481 |
|---|---|
| Cosine metric | 0.7878 |
| Dice metric | 0.7865 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM265889
Similarity: 0.6398
Similarity to MM265889
| Tanimoto metric | 0.6398 |
|---|---|
| Cosine metric | 0.7821 |
| Dice metric | 0.7803 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+147 more
