MMsINC Database Search


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MMsINC code: MMs02752888

Type: Neutral
Formula: C₁₂H₁₀F₃NO₅

SMILES:

FC(F)(F)C(=O)Nc1cc(ccc1C(OC)=O)C(OC)=O

InChI:

InChI=1/C12H10F3NO5/c1-20-9(17)6-3-4-7(10(18)21-2)8(5-6)16-11(19)12(13,14)15/h3-5H,1-2H3,(H,16,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.179 kcal/mol

Physical Properties
Molecular Weight: 305.208 g/mol	logS: -3.43342	SlogP: 2.1805	Reactive groups: 0

Topological Properties
Globularity: 0.0252914	Sterimol/B1: 2.57462	Sterimol/B2: 2.71961	Sterimol/B3: 4.92404
Sterimol/B4: 6.70861	Sterimol/L: 13.7859

Surface and Volume Properties
Accessible surface: 490.877	Positive charged surface: 285.849	Negative charged surface: 205.029	Volume: 238.25
Hydrophobic surface: 278.008	Hydrophilic surface: 212.869

Pharmacophoric Properties
Hydrogen bond donors: 1	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.