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DocumentationIdentifier: MM334616
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM334616 |
| SMILES |
C#CC(=CF)NC(=N)C=C
|
| InChIKey |
IXPOZOGQHPBSTR-UHFFFAOYSA-N
|
| MW [Da] |
138.15
Automatically obtained from RDkit software. |
| LogP |
1.18
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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MM150587
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| Tanimoto metric | 0.773 |
|---|---|
| Cosine metric | 0.8792 |
| Dice metric | 0.872 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM89574
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| Tanimoto metric | 0.7163 |
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| Cosine metric | 0.8464 |
| Dice metric | 0.8347 |
| MW: | 120.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM273364
Similarity: 0.6587
Similarity to MM273364
| Tanimoto metric | 0.6587 |
|---|---|
| Cosine metric | 0.7944 |
| Dice metric | 0.7942 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+47 more
