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DocumentationIdentifier: MM299614
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM299614 |
| SMILES |
C#CC(=CC)N(C)C(C)=O
|
| InChIKey |
ZOBIMUHGNCKUHO-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM47463
Similarity: 0.7134
Similarity to MM47463
| Tanimoto metric | 0.7134 |
|---|---|
| Cosine metric | 0.8446 |
| Dice metric | 0.8327 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47688
Similarity: 0.7073
Similarity to MM47688
| Tanimoto metric | 0.7073 |
|---|---|
| Cosine metric | 0.841 |
| Dice metric | 0.8286 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM150588
Similarity: 0.6402
Similarity to MM150588
| Tanimoto metric | 0.6402 |
|---|---|
| Cosine metric | 0.8002 |
| Dice metric | 0.7807 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+118 more
