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DocumentationIdentifier: MM353684
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM353684 |
| SMILES |
CC(=CF)CCC(C)CO
|
| InChIKey |
GAGHCBUMYNDKDP-UHFFFAOYSA-N
|
| MW [Da] |
146.21
Automatically obtained from RDkit software. |
| LogP |
2.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM329915
Similarity: 0.7416
Similarity to MM329915
| Tanimoto metric | 0.7416 |
|---|---|
| Cosine metric | 0.8611 |
| Dice metric | 0.8516 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM353310
Similarity: 0.7303
Similarity to MM353310
| Tanimoto metric | 0.7303 |
|---|---|
| Cosine metric | 0.8546 |
| Dice metric | 0.8442 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM145231
Similarity: 0.6854
Similarity to MM145231
| Tanimoto metric | 0.6854 |
|---|---|
| Cosine metric | 0.8279 |
| Dice metric | 0.8133 |
| MW: | 130.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+545 more
