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DocumentationIdentifier: MM43784
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM43784 |
| SMILES |
CNC(C)(C)C(C#N)C#N
|
| InChIKey |
OGVBFUOFFNKOKY-UHFFFAOYSA-N
|
| MW [Da] |
137.19
Automatically obtained from RDkit software. |
| LogP |
0.65
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM228862
Similarity: 0.6744
Similarity to MM228862
| Tanimoto metric | 0.6744 |
|---|---|
| Cosine metric | 0.8073 |
| Dice metric | 0.8056 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
2-[1-(dimethylamino)ethyl]propanedinitrile
Similarity: 0.6581
Similarity to 2-[1-(dimethylamino)ethyl]propanedinitrile
| Tanimoto metric | 0.6581 |
|---|---|
| Cosine metric | 0.7945 |
| Dice metric | 0.7938 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM44001
Similarity: 0.6387
Similarity to MM44001
| Tanimoto metric | 0.6387 |
|---|---|
| Cosine metric | 0.78 |
| Dice metric | 0.7795 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+47 more
