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DocumentationIdentifier: MM376500
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM376500 |
| SMILES |
C#CCC1NC1C(C)=O
|
| InChIKey |
XVBVONLOXNHTCA-UHFFFAOYSA-N
|
| MW [Da] |
123.16
Automatically obtained from RDkit software. |
| LogP |
-0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM381666
Similarity: 0.8516
Similarity to MM381666
| Tanimoto metric | 0.8516 |
|---|---|
| Cosine metric | 0.9228 |
| Dice metric | 0.9199 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM389542
Similarity: 0.7355
Similarity to MM389542
| Tanimoto metric | 0.7355 |
|---|---|
| Cosine metric | 0.8576 |
| Dice metric | 0.8476 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM416772
Similarity: 0.7097
Similarity to MM416772
| Tanimoto metric | 0.7097 |
|---|---|
| Cosine metric | 0.8424 |
| Dice metric | 0.8302 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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