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DocumentationIdentifier: MM380127
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM380127 |
| SMILES |
CCC1NC1(C)C(C)=O
|
| InChIKey |
UWKCPSGMJBYJLH-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM377210
Similarity: 0.7813
Similarity to MM377210
| Tanimoto metric | 0.7813 |
|---|---|
| Cosine metric | 0.8782 |
| Dice metric | 0.8772 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM448058
Similarity: 0.749
Similarity to MM448058
| Tanimoto metric | 0.749 |
|---|---|
| Cosine metric | 0.8566 |
| Dice metric | 0.8565 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM364157
Similarity: 0.7433
Similarity to MM364157
| Tanimoto metric | 0.7433 |
|---|---|
| Cosine metric | 0.8556 |
| Dice metric | 0.8527 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+151 more
