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DocumentationIdentifier: MM284951
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM284951 |
| SMILES |
C=CCC(C)=CNC=NC
|
| InChIKey |
HMUSIXGHRFTQEP-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM159596
Similarity: 0.8554
Similarity to MM159596
| Tanimoto metric | 0.8554 |
|---|---|
| Cosine metric | 0.9249 |
| Dice metric | 0.9221 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM385759
Similarity: 0.732
Similarity to MM385759
| Tanimoto metric | 0.732 |
|---|---|
| Cosine metric | 0.8453 |
| Dice metric | 0.8452 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370712
Similarity: 0.7053
Similarity to MM370712
| Tanimoto metric | 0.7053 |
|---|---|
| Cosine metric | 0.8274 |
| Dice metric | 0.8272 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+273 more
