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DocumentationIdentifier: MM254033
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM254033 |
| SMILES |
C=C(C(C)C)C(C)C(=N)N
|
| InChIKey |
PGHQMNKLVREOPA-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
1.77
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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MM160479
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| Tanimoto metric | 0.874 |
|---|---|
| Cosine metric | 0.9349 |
| Dice metric | 0.9328 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM297443
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| Tanimoto metric | 0.8156 |
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| Cosine metric | 0.8985 |
| Dice metric | 0.8984 |
| MW: | 141.22 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.46 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM297748
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Similarity to MM297748
| Tanimoto metric | 0.7303 |
|---|---|
| Cosine metric | 0.8446 |
| Dice metric | 0.8441 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+313 more
