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DocumentationIdentifier: MM250613
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM250613 |
| SMILES |
CCCC(O)CCC(C)=O
|
| InChIKey |
KZPPEBIAPHLFQD-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM250726
Similarity: 0.8718
Similarity to MM250726
| Tanimoto metric | 0.8718 |
|---|---|
| Cosine metric | 0.9323 |
| Dice metric | 0.9315 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM316320
Similarity: 0.8293
Similarity to MM316320
| Tanimoto metric | 0.8293 |
|---|---|
| Cosine metric | 0.9087 |
| Dice metric | 0.9067 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM254560
Similarity: 0.7614
Similarity to MM254560
| Tanimoto metric | 0.7614 |
|---|---|
| Cosine metric | 0.8686 |
| Dice metric | 0.8645 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+500 more
