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DocumentationIdentifier: MM415485
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM415485 |
| SMILES |
CC(=O)CN(C)CCC#N
|
| InChIKey |
BNASISZIWXRKDX-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM51769
Similarity: 0.7674
Similarity to MM51769
| Tanimoto metric | 0.7674 |
|---|---|
| Cosine metric | 0.876 |
| Dice metric | 0.8684 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM44383
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Similarity to MM44383
| Tanimoto metric | 0.7174 |
|---|---|
| Cosine metric | 0.8387 |
| Dice metric | 0.8354 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM351403
Similarity: 0.6977
Similarity to MM351403
| Tanimoto metric | 0.6977 |
|---|---|
| Cosine metric | 0.8353 |
| Dice metric | 0.8219 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+147 more
