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DocumentationIdentifier: MM460601
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM460601 |
| SMILES |
CCC1NC1C(=O)CO
|
| InChIKey |
KTEMBWMYKWKUSI-UHFFFAOYSA-N
|
| MW [Da] |
129.16
Automatically obtained from RDkit software. |
| LogP |
-0.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM460988
Similarity: 0.9494
Similarity to MM460988
| Tanimoto metric | 0.9494 |
|---|---|
| Cosine metric | 0.9744 |
| Dice metric | 0.9741 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM460553
Similarity: 0.8284
Similarity to MM460553
| Tanimoto metric | 0.8284 |
|---|---|
| Cosine metric | 0.9102 |
| Dice metric | 0.9061 |
| MW: | 115.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM194067
Similarity: 0.6878
Similarity to MM194067
| Tanimoto metric | 0.6878 |
|---|---|
| Cosine metric | 0.8152 |
| Dice metric | 0.815 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+122 more
