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DocumentationIdentifier: MM268381
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM268381 |
| SMILES |
CC(C)NC(C)C(C)C=O
|
| InChIKey |
ONPOXTAGZYPVRZ-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
1.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172111
Similarity: 0.9
Similarity to MM172111
| Tanimoto metric | 0.9 |
|---|---|
| Cosine metric | 0.9487 |
| Dice metric | 0.9474 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM362455
Similarity: 0.8469
Similarity to MM362455
| Tanimoto metric | 0.8469 |
|---|---|
| Cosine metric | 0.9171 |
| Dice metric | 0.9171 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58613
Similarity: 0.81
Similarity to MM58613
| Tanimoto metric | 0.81 |
|---|---|
| Cosine metric | 0.895 |
| Dice metric | 0.895 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | |||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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