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DocumentationIdentifier: MM339796
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM339796 |
| SMILES |
CC(N)CNC(CO)CO
|
| InChIKey |
KBOFGJHWASIAHH-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
MM144071
Similarity: 0.8974
Similarity to MM144071
| Tanimoto metric | 0.8974 |
|---|---|
| Cosine metric | 0.9473 |
| Dice metric | 0.9459 |
| MW: | 132.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM64398
Similarity: 0.7179
Similarity to MM64398
| Tanimoto metric | 0.7179 |
|---|---|
| Cosine metric | 0.8473 |
| Dice metric | 0.8358 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM198580
Similarity: 0.7179
Similarity to MM198580
| Tanimoto metric | 0.7179 |
|---|---|
| Cosine metric | 0.8473 |
| Dice metric | 0.8358 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+376 more
