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Documentation2-[1-(dimethylamino)ethyl]propanedinitrile
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM03062 |
| SMILES |
CC(C(C#N)C#N)N(C)C
|
| InChIKey |
JXKXDCBPVWNKGS-UHFFFAOYSA-N
|
| MW [Da] |
137.19
Automatically obtained from RDkit software. |
| LogP |
0.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
130233767
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM44001
Similarity: 0.6847
Similarity to MM44001
| Tanimoto metric | 0.6847 |
|---|---|
| Cosine metric | 0.8128 |
| Dice metric | 0.8128 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM43784
Similarity: 0.6581
Similarity to MM43784
| Tanimoto metric | 0.6581 |
|---|---|
| Cosine metric | 0.7945 |
| Dice metric | 0.7938 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM45068
Similarity: 0.6281
Similarity to MM45068
| Tanimoto metric | 0.6281 |
|---|---|
| Cosine metric | 0.7728 |
| Dice metric | 0.7716 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+73 more
