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DocumentationIdentifier: MM283762
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM283762 |
| SMILES |
C=CC=C(C)CNC=NC
|
| InChIKey |
NCVKYQHRLSVVLE-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8222 |
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| Cosine metric | 0.9068 |
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| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.2 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM371837
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| Tanimoto metric | 0.7475 |
|---|---|
| Cosine metric | 0.8562 |
| Dice metric | 0.8555 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+299 more
