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DocumentationIdentifier: MM390014
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM390014 |
| SMILES |
CCC(O)CC(C)CC#N
|
| InChIKey |
RSTHORSXDDFLBG-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
MM364741
Similarity: 0.8434
Similarity to MM364741
| Tanimoto metric | 0.8434 |
|---|---|
| Cosine metric | 0.9184 |
| Dice metric | 0.915 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261346
Similarity: 0.7634
Similarity to MM261346
| Tanimoto metric | 0.7634 |
|---|---|
| Cosine metric | 0.8659 |
| Dice metric | 0.8659 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM413772
Similarity: 0.7396
Similarity to MM413772
| 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
|
+372 more
