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DocumentationIdentifier: MM180132
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM180132 |
| SMILES |
CC=CN(C=O)C(C)C
|
| InChIKey |
KRGSFBSQILBPEJ-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
1.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM395313
Similarity: 0.8265
Similarity to MM395313
| Tanimoto metric | 0.8265 |
|---|---|
| Cosine metric | 0.9091 |
| Dice metric | 0.905 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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| Tanimoto metric | 0.8182 |
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| Cosine metric | 0.9045 |
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| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM275816
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Similarity to MM275816
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
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| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+256 more
