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DocumentationIdentifier: MM272189
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM272189 |
| SMILES |
C#CC(CC(C)C)NC=O
|
| InChIKey |
MPOHFHVLEPWDSF-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.78
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51340
Similarity: 0.8077
Similarity to MM51340
| Tanimoto metric | 0.8077 |
|---|---|
| Cosine metric | 0.8987 |
| Dice metric | 0.8936 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM387806
Similarity: 0.7119
Similarity to MM387806
| Tanimoto metric | 0.7119 |
|---|---|
| Cosine metric | 0.8321 |
| Dice metric | 0.8317 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM87978
Similarity: 0.672
Similarity to MM87978
| Tanimoto metric | 0.672 |
|---|---|
| Cosine metric | 0.8038 |
| Dice metric | 0.8038 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+215 more
