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DocumentationIdentifier: MM434118
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM434118 |
| SMILES |
CCC(C)C1NC1CC#N
|
| InChIKey |
FEVKNXMNVKLGKL-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM425330
Similarity: 0.8022
Similarity to MM425330
| Tanimoto metric | 0.8022 |
|---|---|
| Cosine metric | 0.8935 |
| Dice metric | 0.8902 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM196028
Similarity: 0.7667
Similarity to MM196028
| Tanimoto metric | 0.7667 |
|---|---|
| Cosine metric | 0.8756 |
| Dice metric | 0.8679 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM434718
Similarity: 0.7386
Similarity to MM434718
| Tanimoto metric | 0.7386 |
|---|---|
| Cosine metric | 0.8498 |
| Dice metric | 0.8497 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+247 more
