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DocumentationIdentifier: MM111463
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM111463 |
| SMILES |
CC(CO)C(N)CO
|
| InChIKey |
DAFJFYRIYSHJHT-UHFFFAOYSA-N
|
| MW [Da] |
119.16
Automatically obtained from RDkit software. |
| LogP |
-1.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM83359
Similarity: 0.7288
Similarity to MM83359
| Tanimoto metric | 0.7288 |
|---|---|
| Cosine metric | 0.8537 |
| Dice metric | 0.8431 |
| MW: | 103.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM102933
Similarity: 0.7246
Similarity to MM102933
| Tanimoto metric | 0.7246 |
|---|---|
| Cosine metric | 0.8404 |
| Dice metric | 0.8403 |
| MW: | 119.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171835
Similarity: 0.7024
Similarity to MM171835
| Tanimoto metric | 0.7024 |
|---|---|
| Cosine metric | 0.8381 |
| Dice metric | 0.8252 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+455 more
