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DocumentationIdentifier: MM420978
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM420978 |
| SMILES |
C=CN(C=N)C(C)=CCC
|
| InChIKey |
LSJATPVVIQMFFR-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.35
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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MM197657
Similarity: 0.776
Similarity to MM197657
| Tanimoto metric | 0.776 |
|---|---|
| Cosine metric | 0.8809 |
| Dice metric | 0.8739 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM175299
Similarity: 0.744
Similarity to MM175299
| Tanimoto metric | 0.744 |
|---|---|
| Cosine metric | 0.8626 |
| Dice metric | 0.8532 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM360243
Similarity: 0.662
Similarity to MM360243
| Tanimoto metric | 0.662 |
|---|---|
| Cosine metric | 0.798 |
| Dice metric | 0.7966 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+227 more
