MMsINC Database Search


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MMsINC code: MMs01523386

Type: Neutral
Formula: C₁₄H₁₀F₃NO₂

SMILES:

Fc1ccccc1NC(=O)c1cc(OC(F)F)ccc1

InChI:

InChI=1/C14H10F3NO2/c15-11-6-1-2-7-12(11)18-13(19)9-4-3-5-10(8-9)20-14(16)17/h1-8,14H,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.853 kcal/mol

Physical Properties
Molecular Weight: 281.233 g/mol	logS: -3.7841	SlogP: 4.0993	Reactive groups: 0

Topological Properties
Globularity: 0.0130563	Sterimol/B1: 2.25522	Sterimol/B2: 2.49677	Sterimol/B3: 2.96827
Sterimol/B4: 5.74565	Sterimol/L: 15.7461

Surface and Volume Properties
Accessible surface: 467.938	Positive charged surface: 221.018	Negative charged surface: 246.92	Volume: 231.625
Hydrophobic surface: 347.371	Hydrophilic surface: 120.567

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.