MMsINC Database Search


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MMsINC code: MMs02901437

Type: Neutral
Formula: C₁₃H₉F₃N₂O₂

SMILES:

FC(F)(F)c1ccc(Oc2ccc(cc2)C(=O)N)nc1

InChI:

InChI=1/C13H9F3N2O2/c14-13(15,16)9-3-6-11(18-7-9)20-10-4-1-8(2-5-10)12(17)19/h1-7H,(H2,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.6325 kcal/mol

Physical Properties
Molecular Weight: 282.221 g/mol	logS: -3.52938	SlogP: 3.3031	Reactive groups: 0

Topological Properties
Globularity: 0.0743988	Sterimol/B1: 2.34445	Sterimol/B2: 3.3572	Sterimol/B3: 4.36861
Sterimol/B4: 4.57878	Sterimol/L: 15.0617

Surface and Volume Properties
Accessible surface: 470.395	Positive charged surface: 222.798	Negative charged surface: 247.597	Volume: 226.5
Hydrophobic surface: 252.434	Hydrophilic surface: 217.961

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.