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DocumentationIdentifier: MM261832
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM261832 |
| SMILES |
CCCC(C)CC(=O)CO
|
| InChIKey |
BQYUWWBNXQHSKG-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM328401
Similarity: 0.7978
Similarity to MM328401
| Tanimoto metric | 0.7978 |
|---|---|
| Cosine metric | 0.8881 |
| Dice metric | 0.8875 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261833
Similarity: 0.7474
Similarity to MM261833
| Tanimoto metric | 0.7474 |
|---|---|
| Cosine metric | 0.8554 |
| Dice metric | 0.8554 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM244885
Similarity: 0.7245
Similarity to MM244885
| Tanimoto metric | 0.7245 |
|---|---|
| Cosine metric | 0.8404 |
| Dice metric | 0.8402 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+375 more
