MMsINC Database Search


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MMsINC code: MMs02899571

Type: Neutral
Formula: C₁₃H₁₀F₂N₂O

SMILES:

Fc1cc(F)ccc1NC(=O)c1ccc(N)cc1

InChI:

InChI=1/C13H10F2N2O/c14-9-3-6-12(11(15)7-9)17-13(18)8-1-4-10(16)5-2-8/h1-7H,16H2,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.483 kcal/mol

Physical Properties
Molecular Weight: 248.232 g/mol	logS: -3.66571	SlogP: 2.7993	Reactive groups: 0

Topological Properties
Globularity: 0.0117673	Sterimol/B1: 2.18113	Sterimol/B2: 2.46637	Sterimol/B3: 2.87384
Sterimol/B4: 5.36511	Sterimol/L: 15.3048

Surface and Volume Properties
Accessible surface: 441.554	Positive charged surface: 228.361	Negative charged surface: 213.192	Volume: 216.5
Hydrophobic surface: 345.793	Hydrophilic surface: 95.761

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