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DocumentationIdentifier: MM156511
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM156511 |
| SMILES |
C=CCCC(=N)NC=C
|
| InChIKey |
CETSUSBVOKRHFP-UHFFFAOYSA-N
|
| MW [Da] |
124.19
Automatically obtained from RDkit software. |
| LogP |
1.66
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM107362
Similarity: 0.8049
Similarity to MM107362
| Tanimoto metric | 0.8049 |
|---|---|
| Cosine metric | 0.8971 |
| Dice metric | 0.8919 |
| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM356742
Similarity: 0.8039
Similarity to MM356742
| Tanimoto metric | 0.8039 |
|---|---|
| Cosine metric | 0.8966 |
| Dice metric | 0.8913 |
| MW: | 142.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113140
Similarity: 0.7683
Similarity to MM113140
| Tanimoto metric | 0.7683 |
|---|---|
| Cosine metric | 0.8765 |
| Dice metric | 0.869 |
| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+599 more
