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DocumentationIdentifier: MM225390
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM225390 |
| SMILES |
CC(C=O)=CCC(C)(C)C
|
| InChIKey |
VKCCTXHIACUQCF-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM146570
Similarity: 0.8857
Similarity to MM146570
| Tanimoto metric | 0.8857 |
|---|---|
| Cosine metric | 0.9411 |
| Dice metric | 0.9394 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM324707
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| Tanimoto metric | 0.7209 |
|---|---|
| Cosine metric | 0.8391 |
| Dice metric | 0.8378 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM324703
Similarity: 0.7209
Similarity to MM324703
| Tanimoto metric | 0.7209 |
|---|---|
| Cosine metric | 0.8391 |
| Dice metric | 0.8378 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+685 more
