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DocumentationIdentifier: MM59632
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM59632 |
| SMILES |
CCC(NCC#N)C(C)=O
|
| InChIKey |
GOVJLOLHERUGBL-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179829
Similarity: 0.8073
Similarity to MM179829
| Tanimoto metric | 0.8073 |
|---|---|
| Cosine metric | 0.8985 |
| Dice metric | 0.8934 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM393491
Similarity: 0.7934
Similarity to MM393491
| Tanimoto metric | 0.7934 |
|---|---|
| Cosine metric | 0.8848 |
| Dice metric | 0.8848 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM441014
Similarity: 0.746
Similarity to MM441014
| Tanimoto metric | 0.746 |
|---|---|
| Cosine metric | 0.8546 |
| Dice metric | 0.8545 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+198 more
