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DocumentationIdentifier: MM315796
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM315796 |
| SMILES |
CC(C)(C)CCNC=O
|
| InChIKey |
QOCXLGWYHYULLD-UHFFFAOYSA-N
|
| MW [Da] |
129.2
Automatically obtained from RDkit software. |
| LogP |
1.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM308367
Similarity: 0.8462
Similarity to MM308367
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9199 |
| Dice metric | 0.9167 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM224752
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| Tanimoto metric | 0.7536 |
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| Cosine metric | 0.8681 |
| Dice metric | 0.8595 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM239398
Similarity: 0.7324
Similarity to MM239398
| Tanimoto metric | 0.7324 |
|---|---|
| Cosine metric | 0.8558 |
| Dice metric | 0.8455 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+417 more
