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DocumentationIdentifier: MM79713
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM79713 |
| SMILES |
CCC(O)CN(C=O)CC
|
| InChIKey |
VTTOTDTXOFTGEF-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM62121
Similarity: 0.7883
Similarity to MM62121
| Tanimoto metric | 0.7883 |
|---|---|
| Cosine metric | 0.8838 |
| Dice metric | 0.8816 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM149781
Similarity: 0.7544
Similarity to MM149781
| Tanimoto metric | 0.7544 |
|---|---|
| Cosine metric | 0.8686 |
| Dice metric | 0.86 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM87673
Similarity: 0.7083
Similarity to MM87673
| Tanimoto metric | 0.7083 |
|---|---|
| Cosine metric | 0.8345 |
| Dice metric | 0.8293 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+238 more
