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DocumentationIdentifier: MM290437
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM290437 |
| SMILES |
CC(C)=CN=CNCCO
|
| InChIKey |
BDMWCZTYXTVHBN-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM92251
Similarity: 0.8472
Similarity to MM92251
| Tanimoto metric | 0.8472 |
|---|---|
| Cosine metric | 0.9204 |
| Dice metric | 0.9173 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM452655
Similarity: 0.7683
Similarity to MM452655
| Tanimoto metric | 0.7683 |
|---|---|
| Cosine metric | 0.869 |
| Dice metric | 0.869 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM290456
Similarity: 0.716
Similarity to MM290456
| Tanimoto metric | 0.716 |
|---|---|
| Cosine metric | 0.8351 |
| Dice metric | 0.8345 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+161 more
