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DocumentationIdentifier: MM44001
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM44001 |
| SMILES |
CCNC(C)C(C#N)C#N
|
| InChIKey |
NPMUABCWYCZKFB-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
MM362456
Similarity: 0.7885
Similarity to MM362456
| Tanimoto metric | 0.7885 |
|---|---|
| Cosine metric | 0.8818 |
| Dice metric | 0.8817 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28399
Similarity: 0.7568
Similarity to MM28399
| Tanimoto metric | 0.7568 |
|---|---|
| Cosine metric | 0.8621 |
| Dice metric | 0.8615 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242008
Similarity: 0.6949
Similarity to MM242008
| Tanimoto metric | 0.6949 |
|---|---|
| Cosine metric | 0.8215 |
| Dice metric | 0.82 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+44 more
