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DocumentationIdentifier: MM172421
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172421 |
| SMILES |
CCOC(C)C(=N)NC
|
| InChIKey |
KSOMTPKBMVTPJS-UHFFFAOYSA-N
|
| MW [Da] |
130.19
Automatically obtained from RDkit software. |
| LogP |
0.61
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM349005
Similarity: 0.8917
Similarity to MM349005
| Tanimoto metric | 0.8917 |
|---|---|
| Cosine metric | 0.9443 |
| Dice metric | 0.9427 |
| MW: | 145.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349007
Similarity: 0.856
Similarity to MM349007
| Tanimoto metric | 0.856 |
|---|---|
| Cosine metric | 0.9252 |
| Dice metric | 0.9224 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349002
Similarity: 0.8492
Similarity to MM349002
| Tanimoto metric | 0.8492 |
|---|---|
| Cosine metric | 0.9215 |
| Dice metric | 0.9185 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+431 more
