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DocumentationIdentifier: MM392476
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM392476 |
| SMILES |
CCC(CCC#N)N(C)C
|
| InChIKey |
KYUVVXYATPYJHT-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
1.63
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM198637
Similarity: 0.7952
Similarity to MM198637
| Tanimoto metric | 0.7952 |
|---|---|
| Cosine metric | 0.8917 |
| Dice metric | 0.8859 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM71775
Similarity: 0.6265
Similarity to MM71775
| Tanimoto metric | 0.6265 |
|---|---|
| Cosine metric | 0.7915 |
| Dice metric | 0.7704 |
| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM244834
Similarity: 0.6126
Similarity to MM244834
| Tanimoto metric | 0.6126 |
|---|---|
| Cosine metric | 0.7618 |
| Dice metric | 0.7598 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+415 more
