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DocumentationIdentifier: MM149763
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM149763 |
| SMILES |
CCC(C=O)NC(C)C
|
| InChIKey |
XMDZDDACBXKAKB-UHFFFAOYSA-N
|
| MW [Da] |
129.2
Automatically obtained from RDkit software. |
| LogP |
0.96
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM326759
Similarity: 0.8947
Similarity to MM326759
| Tanimoto metric | 0.8947 |
|---|---|
| Cosine metric | 0.9459 |
| Dice metric | 0.9444 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116028
Similarity: 0.8676
Similarity to MM116028
| Tanimoto metric | 0.8676 |
|---|---|
| Cosine metric | 0.9315 |
| Dice metric | 0.9291 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM141690
Similarity: 0.8333
Similarity to MM141690
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9095 |
| Dice metric | 0.9091 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+311 more
