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DocumentationIdentifier: MM302094
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM302094 |
| SMILES |
CCCCNC(=N)C(C)O
|
| InChIKey |
MDYSGTYZQOZQBU-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
0.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM254921
Similarity: 0.7731
Similarity to MM254921
| Tanimoto metric | 0.7731 |
|---|---|
| Cosine metric | 0.872 |
| Dice metric | 0.872 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM302096
Similarity: 0.7731
Similarity to MM302096
| Tanimoto metric | 0.7731 |
|---|---|
| Cosine metric | 0.872 |
| Dice metric | 0.872 |
| MW: | 145.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM302530
Similarity: 0.7541
Similarity to MM302530
| Tanimoto metric | 0.7541 |
|---|---|
| Cosine metric | 0.86 |
| Dice metric | 0.8598 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+653 more
