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DocumentationIdentifier: MM135439
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM135439 |
| SMILES |
C=CCC(=O)NC(C)C
|
| InChIKey |
KEFQXZVDFOJGOH-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
1.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM221239
Similarity: 0.8523
Similarity to MM221239
| Tanimoto metric | 0.8523 |
|---|---|
| Cosine metric | 0.9232 |
| Dice metric | 0.9202 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8133 |
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| Cosine metric | 0.9018 |
| Dice metric | 0.8971 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.7 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM237221
Similarity: 0.7895
Similarity to MM237221
| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8885 |
| Dice metric | 0.8824 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+606 more
