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DocumentationIdentifier: MM232818
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM232818 |
| SMILES |
CC(C#N)NC(CO)CO
|
| InChIKey |
PDQSKVAASCRCDG-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
-1.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM260850
Similarity: 0.9041
Similarity to MM260850
| Tanimoto metric | 0.9041 |
|---|---|
| Cosine metric | 0.9508 |
| Dice metric | 0.9496 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM206200
Similarity: 0.7952
Similarity to MM206200
| Tanimoto metric | 0.7952 |
|---|---|
| Cosine metric | 0.8861 |
| Dice metric | 0.8859 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM232762
Similarity: 0.7945
Similarity to MM232762
| Tanimoto metric | 0.7945 |
|---|---|
| Cosine metric | 0.8914 |
| Dice metric | 0.8855 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+463 more
