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DocumentationIdentifier: MM258379
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM258379 |
| SMILES |
CCC(=O)CCNC(C)=O
|
| InChIKey |
DPFVVCYPDWRFJK-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM258460
Similarity: 0.8125
Similarity to MM258460
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.8966 |
| Dice metric | 0.8966 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM300427
Similarity: 0.7614
Similarity to MM300427
| Tanimoto metric | 0.7614 |
|---|---|
| Cosine metric | 0.8726 |
| Dice metric | 0.8645 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM258608
Similarity: 0.6667
Similarity to MM258608
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8009 |
| Dice metric | 0.8 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+72 more
