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DocumentationIdentifier: MM422972
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM422972 |
| SMILES |
C=CC(CN)=C(C)NC=N
|
| InChIKey |
IIBYARCAQJDFPV-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM175907
Similarity: 0.6912
Similarity to MM175907
| Tanimoto metric | 0.6912 |
|---|---|
| Cosine metric | 0.8314 |
| Dice metric | 0.8174 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM423545
Similarity: 0.6507
Similarity to MM423545
| Tanimoto metric | 0.6507 |
|---|---|
| Cosine metric | 0.795 |
| Dice metric | 0.7884 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM422578
Similarity: 0.6486
Similarity to MM422578
| Tanimoto metric | 0.6486 |
|---|---|
| Cosine metric | 0.7921 |
| Dice metric | 0.7869 |
| MW: | 142.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+109 more
