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DocumentationIdentifier: MM172380
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172380 |
| SMILES |
CNC(=O)C(O)CCN
|
| InChIKey |
NVVYWFTZKDWJPP-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
-1.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM111756
Similarity: 0.8173
Similarity to MM111756
| Tanimoto metric | 0.8173 |
|---|---|
| Cosine metric | 0.9041 |
| Dice metric | 0.8995 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292810
Similarity: 0.8
Similarity to MM292810
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM268853
Similarity: 0.782
Similarity to MM268853
| Tanimoto metric | 0.782 |
|---|---|
| Cosine metric | 0.8843 |
| Dice metric | 0.8776 |
| MW: | 146.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+539 more
