MMsINC Database Search


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MMsINC code: MMs00477818

Type: Neutral
Formula: C₁₁H₉F₆NO₃

SMILES:

FC(F)(F)c1ccc(NC(=O)CC(O)(O)C(F)(F)F)cc1

InChI:

InChI=1/C11H9F6NO3/c12-10(13,14)6-1-3-7(4-2-6)18-8(19)5-9(20,21)11(15,16)17/h1-4,20-21H,5H2,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.6601 kcal/mol

Physical Properties
Molecular Weight: 317.185 g/mol	logS: -3.25931	SlogP: 3.0086	Reactive groups: 0

Topological Properties
Globularity: 0.047657	Sterimol/B1: 2.53291	Sterimol/B2: 2.70365	Sterimol/B3: 3.66698
Sterimol/B4: 5.22098	Sterimol/L: 14.7107

Surface and Volume Properties
Accessible surface: 464.41	Positive charged surface: 166.597	Negative charged surface: 297.813	Volume: 224
Hydrophobic surface: 161.089	Hydrophilic surface: 303.321

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.