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DocumentationIdentifier: MM326083
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM326083 |
| SMILES |
CCC(CC)CC(C)C=O
|
| InChIKey |
XLRQQPVYNKKZNV-UHFFFAOYSA-N
|
| MW [Da] |
142.24
Automatically obtained from RDkit software. |
| LogP |
2.65
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM141611
Similarity: 0.9434
Similarity to MM141611
| Tanimoto metric | 0.9434 |
|---|---|
| Cosine metric | 0.9713 |
| Dice metric | 0.9709 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261617
Similarity: 0.8475
Similarity to MM261617
| Tanimoto metric | 0.8475 |
|---|---|
| Cosine metric | 0.9178 |
| Dice metric | 0.9174 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261492
Similarity: 0.8333
Similarity to MM261492
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9097 |
| Dice metric | 0.9091 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+454 more
