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DocumentationIdentifier: MM35575
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM35575 |
| SMILES |
C#CC(=O)C(C)CO
|
| InChIKey |
SAKDMNJCEGMASS-UHFFFAOYSA-N
|
| MW [Da] |
112.13
Automatically obtained from RDkit software. |
| LogP |
-0.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM197268
Similarity: 0.8642
Similarity to MM197268
| Tanimoto metric | 0.8642 |
|---|---|
| Cosine metric | 0.9296 |
| Dice metric | 0.9272 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41665
Similarity: 0.7609
Similarity to MM41665
| Tanimoto metric | 0.7609 |
|---|---|
| Cosine metric | 0.8723 |
| Dice metric | 0.8642 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM53488
Similarity: 0.7216
Similarity to MM53488
| Tanimoto metric | 0.7216 |
|---|---|
| Cosine metric | 0.8495 |
| Dice metric | 0.8383 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+437 more
