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DocumentationIdentifier: MM70846
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM70846 |
| SMILES |
CNCC(NC=O)C(C)C
|
| InChIKey |
CCJPOFCBTKNCLN-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
-0.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM54787
Similarity: 0.8163
Similarity to MM54787
| Tanimoto metric | 0.8163 |
|---|---|
| Cosine metric | 0.9035 |
| Dice metric | 0.8989 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76181
Similarity: 0.6587
Similarity to MM76181
| Tanimoto metric | 0.6587 |
|---|---|
| Cosine metric | 0.7958 |
| Dice metric | 0.7943 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM54815
Similarity: 0.6535
Similarity to MM54815
| Tanimoto metric | 0.6535 |
|---|---|
| Cosine metric | 0.7922 |
| Dice metric | 0.7905 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+232 more
