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DocumentationIdentifier: MM243823
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM243823 |
| SMILES |
CCCC(O)(CC)C(C)=O
|
| InChIKey |
AUDNFHXZPGAVRI-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
MM40483
Similarity: 0.8783
Similarity to MM40483
| Tanimoto metric | 0.8783 |
|---|---|
| Cosine metric | 0.9372 |
| Dice metric | 0.9352 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM233329
Similarity: 0.7803
Similarity to MM233329
| Tanimoto metric | 0.7803 |
|---|---|
| Cosine metric | 0.8768 |
| Dice metric | 0.8766 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM57368
Similarity: 0.7556
Similarity to MM57368
| Tanimoto metric | 0.7556 |
|---|---|
| Cosine metric | 0.8611 |
| Dice metric | 0.8608 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+309 more
