MMsINC Database Search


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MMsINC code: MMs00591884

Type: Neutral
Formula: C₁₄H₁₀F₃NO₂

SMILES:

FC(F)(F)c1cc(NC(=O)c2ccc(O)cc2)ccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.9459 kcal/mol

Physical Properties
Molecular Weight: 281.233 g/mol	logS: -4.04947	SlogP: 3.9748	Reactive groups: 0

Topological Properties
Globularity: 0.0239118	Sterimol/B1: 2.15947	Sterimol/B2: 2.48729	Sterimol/B3: 3.65691
Sterimol/B4: 6.09081	Sterimol/L: 15.1085

Surface and Volume Properties
Accessible surface: 472.047	Positive charged surface: 205.259	Negative charged surface: 266.787	Volume: 232.375
Hydrophobic surface: 282.82	Hydrophilic surface: 189.227

Pharmacophoric Properties
Hydrogen bond donors: 2	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.