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DocumentationIdentifier: MM349598
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM349598 |
| SMILES |
CCC(=N)N(C)C(C)C#N
|
| InChIKey |
LGUQFSCYBOOSJC-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.22
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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MM87566
Similarity: 0.6889
Similarity to MM87566
| Tanimoto metric | 0.6889 |
|---|---|
| Cosine metric | 0.83 |
| Dice metric | 0.8158 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376743
Similarity: 0.6644
Similarity to MM376743
| Tanimoto metric | 0.6644 |
|---|---|
| Cosine metric | 0.8033 |
| Dice metric | 0.7984 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM92139
Similarity: 0.6593
Similarity to MM92139
| Tanimoto metric | 0.6593 |
|---|---|
| Cosine metric | 0.8119 |
| Dice metric | 0.7946 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+130 more
