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DocumentationIdentifier: MM284235
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM284235 |
| SMILES |
CC(C=CNC=N)=CCO
|
| InChIKey |
CMLDMPVJPFNARI-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.64
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM170356
Similarity: 0.8
Similarity to MM170356
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM284231
Similarity: 0.7087
Similarity to MM284231
| Tanimoto metric | 0.7087 |
|---|---|
| Cosine metric | 0.8298 |
| Dice metric | 0.8295 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM284233
Similarity: 0.6792
Similarity to MM284233
| Tanimoto metric | 0.6792 |
|---|---|
| Cosine metric | 0.809 |
| Dice metric | 0.809 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+306 more
