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DocumentationIdentifier: MM166335
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM166335 |
| SMILES |
CCCCCC(=O)CF
|
| InChIKey |
XCTXZEPPGMEWAO-UHFFFAOYSA-N
|
| MW [Da] |
132.18
Automatically obtained from RDkit software. |
| LogP |
2.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM258318
Similarity: 0.9048
Similarity to MM258318
| Tanimoto metric | 0.9048 |
|---|---|
| Cosine metric | 0.9512 |
| Dice metric | 0.95 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM112998
Similarity: 0.8596
Similarity to MM112998
| Tanimoto metric | 0.8596 |
|---|---|
| Cosine metric | 0.9272 |
| Dice metric | 0.9245 |
| MW: | 118.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166576
Similarity: 0.8095
Similarity to MM166576
| Tanimoto metric | 0.8095 |
|---|---|
| Cosine metric | 0.8947 |
| Dice metric | 0.8947 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+437 more
