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DocumentationIdentifier: MM325791
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM325791 |
| SMILES |
CNC(CO)CC(N)CO
|
| InChIKey |
NXPGBTSZTCPSNW-UHFFFAOYSA-N
|
| MW [Da] |
148.21
Automatically obtained from RDkit software. |
| LogP |
-1.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM325822
Similarity: 0.9167
Similarity to MM325822
| Tanimoto metric | 0.9167 |
|---|---|
| Cosine metric | 0.9565 |
| Dice metric | 0.9565 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM141570
Similarity: 0.8696
Similarity to MM141570
| Tanimoto metric | 0.8696 |
|---|---|
| Cosine metric | 0.9325 |
| Dice metric | 0.9302 |
| MW: | 132.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261273
Similarity: 0.7143
Similarity to MM261273
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8341 |
| Dice metric | 0.8333 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+509 more
