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DocumentationIdentifier: MM115956
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM115956 |
| SMILES |
CCC(CC=O)NC
|
| InChIKey |
YONIZNBBVFLGMA-UHFFFAOYSA-N
|
| MW [Da] |
115.18
Automatically obtained from RDkit software. |
| LogP |
0.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM177885
Similarity: 0.9298
Similarity to MM177885
| Tanimoto metric | 0.9298 |
|---|---|
| Cosine metric | 0.9643 |
| Dice metric | 0.9636 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM78831
Similarity: 0.7736
Similarity to MM78831
| Tanimoto metric | 0.7736 |
|---|---|
| Cosine metric | 0.8795 |
| Dice metric | 0.8723 |
| MW: | 101.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM177811
Similarity: 0.7465
Similarity to MM177811
| Tanimoto metric | 0.7465 |
|---|---|
| Cosine metric | 0.864 |
| Dice metric | 0.8548 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+494 more
