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DocumentationIdentifier: MM454109
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM454109 |
| SMILES |
CCC(=O)C1C(C)N1C
|
| InChIKey |
DJERHZRLMDYXST-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
0.67
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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MM265650
Similarity: 0.8228
Similarity to MM265650
| Tanimoto metric | 0.8228 |
|---|---|
| Cosine metric | 0.9071 |
| Dice metric | 0.9028 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM396422
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| Cosine metric | 0.9071 |
| Dice metric | 0.9028 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.91 |
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| AI: | 0
Total active interactions
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MM149428
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| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.9014 |
| Dice metric | 0.8966 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+110 more
