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DocumentationIdentifier: MM174080
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM174080 |
| SMILES |
CN=CN(C)C(C)C#N
|
| InChIKey |
PBEBAJMJBZAYSH-UHFFFAOYSA-N
|
| MW [Da] |
125.18
Automatically obtained from RDkit software. |
| LogP |
0.49
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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MM355528
Similarity: 0.883
Similarity to MM355528
| Tanimoto metric | 0.883 |
|---|---|
| Cosine metric | 0.9397 |
| Dice metric | 0.9379 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM379191
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| Tanimoto metric | 0.783 |
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| Cosine metric | 0.8849 |
| Dice metric | 0.8783 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM69686
Similarity: 0.759
Similarity to MM69686
| Tanimoto metric | 0.759 |
|---|---|
| Cosine metric | 0.8712 |
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||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
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| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+236 more
