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DocumentationIdentifier: MM439464
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM439464 |
| SMILES |
C=CC(=O)C1NC1(C)C
|
| InChIKey |
VKKPCKDIKCLAOQ-UHFFFAOYSA-N
|
| MW [Da] |
125.17
Automatically obtained from RDkit software. |
| LogP |
0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM407690
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| Tanimoto metric | 0.7608 |
|---|---|
| Cosine metric | 0.8722 |
| Dice metric | 0.8641 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM413030
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| Tanimoto metric | 0.7578 |
|---|---|
| Cosine metric | 0.8705 |
| Dice metric | 0.8622 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM417100
Similarity: 0.7376
Similarity to MM417100
| Tanimoto metric | 0.7376 |
|---|---|
| Cosine metric | 0.8589 |
| Dice metric | 0.849 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+56 more
