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DocumentationIdentifier: MM97177
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM97177 |
| SMILES |
N=C(N)CC(=N)N
|
| InChIKey |
PVFQGWOQUCAAIX-UHFFFAOYSA-N
|
| MW [Da] |
100.13
Automatically obtained from RDkit software. |
| LogP |
-0.75
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 | 0.6471 |
|---|---|
| Cosine metric | 0.8044 |
| Dice metric | 0.7857 |
| MW: | 72.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM109101
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| Cosine metric | 0.7935 |
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| MW: | 114.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.51 |
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| AI: | 0
Total active interactions
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MM104548
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Similarity to MM104548
| Tanimoto metric | 0.5965 |
|---|---|
| Cosine metric | 0.7723 |
| Dice metric | 0.7473 |
| MW: | 114.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+26 more
