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DocumentationIdentifier: MM413772
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM413772 |
| SMILES |
CCC(O)C(C)CCC#N
|
| InChIKey |
PQFVQHJDKHPLBK-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
MM413418
Similarity: 0.75
Similarity to MM413418
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8607 |
| Dice metric | 0.8571 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM390014
Similarity: 0.7396
Similarity to MM390014
| Tanimoto metric | 0.7396 |
|---|---|
| Cosine metric | 0.8503 |
| Dice metric | 0.8503 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM362073
Similarity: 0.7312
Similarity to MM362073
| 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
|
+437 more
