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DocumentationIdentifier: MM92690
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM92690 |
| SMILES |
C#CC(=O)CCC(C)NC
|
| InChIKey |
JCBNXUDKLVVMEI-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM92701
Similarity: 0.7212
Similarity to MM92701
| Tanimoto metric | 0.7212 |
|---|---|
| Cosine metric | 0.8492 |
| Dice metric | 0.838 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91589
Similarity: 0.7115
Similarity to MM91589
| Tanimoto metric | 0.7115 |
|---|---|
| Cosine metric | 0.8435 |
| Dice metric | 0.8315 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM316431
Similarity: 0.6581
Similarity to MM316431
| Tanimoto metric | 0.6581 |
|---|---|
| Cosine metric | 0.7959 |
| Dice metric | 0.7938 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+242 more
