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DocumentationIdentifier: MM362073
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM362073 |
| SMILES |
CCC(C)C(O)CCC#N
|
| InChIKey |
LZQWUGKADDRBPT-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM409704
Similarity: 0.7403
Similarity to MM409704
| Tanimoto metric | 0.7403 |
|---|---|
| Cosine metric | 0.8604 |
| Dice metric | 0.8507 |
| MW: | 130.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM413772
Similarity: 0.7312
Similarity to MM413772
| Tanimoto metric | 0.7312 |
|---|---|
| Cosine metric | 0.8455 |
| Dice metric | 0.8447 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171928
Similarity: 0.7045
Similarity to MM171928
| Tanimoto metric | 0.7045 |
|---|---|
| Cosine metric | 0.827 |
| Dice metric | 0.8267 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+565 more
