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DocumentationIdentifier: MM272053
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM272053 |
| SMILES |
CC(C)CC(C=O)CCF
|
| InChIKey |
ATNNUCQDPOPQLN-UHFFFAOYSA-N
|
| MW [Da] |
146.21
Automatically obtained from RDkit software. |
| LogP |
2.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM177935
Similarity: 0.8421
Similarity to MM177935
| Tanimoto metric | 0.8421 |
|---|---|
| Cosine metric | 0.9177 |
| Dice metric | 0.9143 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386691
Similarity: 0.7674
Similarity to MM386691
| Tanimoto metric | 0.7674 |
|---|---|
| Cosine metric | 0.8684 |
| Dice metric | 0.8684 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386693
Similarity: 0.7619
Similarity to MM386693
| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.8652 |
| Dice metric | 0.8649 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+473 more
