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DocumentationIdentifier: MM130395
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM130395 |
| SMILES |
CC(C)(O)CCC(N)=O
|
| InChIKey |
ODHLSCFFKRNLPG-UHFFFAOYSA-N
|
| MW [Da] |
131.18
Automatically obtained from RDkit software. |
| LogP |
0.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM103398
Similarity: 0.7442
Similarity to MM103398
| Tanimoto metric | 0.7442 |
|---|---|
| Cosine metric | 0.8627 |
| Dice metric | 0.8533 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM228133
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Similarity to MM228133
| Tanimoto metric | 0.6772 |
|---|---|
| Cosine metric | 0.8229 |
| Dice metric | 0.8075 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144248
Similarity: 0.6214
Similarity to MM144248
| Tanimoto metric | 0.6214 |
|---|---|
| Cosine metric | 0.7668 |
| Dice metric | 0.7665 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+395 more
