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DocumentationIdentifier: MM45070
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM45070 |
| SMILES |
CCNCC(C)(C#N)C#N
|
| InChIKey |
SEWYBJDGBZNLKT-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
MM44933
Similarity: 0.8378
Similarity to MM44933
| Tanimoto metric | 0.8378 |
|---|---|
| Cosine metric | 0.9153 |
| Dice metric | 0.9118 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM313027
Similarity: 0.7949
Similarity to MM313027
| Tanimoto metric | 0.7949 |
|---|---|
| Cosine metric | 0.8872 |
| Dice metric | 0.8857 |
| MW: | 134.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239646
Similarity: 0.775
Similarity to MM239646
| Tanimoto metric | 0.775 |
|---|---|
| Cosine metric | 0.874 |
| Dice metric | 0.8732 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+77 more
