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DocumentationIdentifier: MM315739
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM315739 |
| SMILES |
CCC(O)CCN(C)C=O
|
| InChIKey |
LIMIGUNVNRSBIP-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
MM48467
Similarity: 0.75
Similarity to MM48467
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM315743
Similarity: 0.7222
Similarity to MM315743
| Tanimoto metric | 0.7222 |
|---|---|
| Cosine metric | 0.8388 |
| Dice metric | 0.8387 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM81480
Similarity: 0.6754
Similarity to MM81480
| Tanimoto metric | 0.6754 |
|---|---|
| Cosine metric | 0.8068 |
| Dice metric | 0.8063 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+426 more
