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DocumentationIdentifier: MM56001
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM56001 |
| SMILES |
CNCC#CC(=O)N(C)C
|
| InChIKey |
NYGOQBFTJLMUEO-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
-0.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM255834
Similarity: 0.8681
Similarity to MM255834
| Tanimoto metric | 0.8681 |
|---|---|
| Cosine metric | 0.9304 |
| Dice metric | 0.9294 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108770
Similarity: 0.7901
Similarity to MM108770
| Tanimoto metric | 0.7901 |
|---|---|
| Cosine metric | 0.8889 |
| Dice metric | 0.8828 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM35730
Similarity: 0.7778
Similarity to MM35730
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+434 more
