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DocumentationIdentifier: MM441495
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM441495 |
| SMILES |
C=CCN1CC1C=CC#N
|
| InChIKey |
BKWMLAAECCYMQQ-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
0.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM217108
Similarity: 0.9007
Similarity to MM217108
| Tanimoto metric | 0.9007 |
|---|---|
| Cosine metric | 0.9491 |
| Dice metric | 0.9478 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM194900
Similarity: 0.8156
Similarity to MM194900
| Tanimoto metric | 0.8156 |
|---|---|
| Cosine metric | 0.9031 |
| Dice metric | 0.8984 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM447664
Similarity: 0.8056
Similarity to MM447664
| Tanimoto metric | 0.8056 |
|---|---|
| Cosine metric | 0.8955 |
| Dice metric | 0.8923 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+245 more
