MMsINC Database Search


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MMsINC code: MMs00770933

Type: Neutral
Formula: C₁₃H₁₀F₂N₂O

SMILES:

Fc1ccccc1NC(=O)Nc1ccccc1F

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.668 kcal/mol

Physical Properties
Molecular Weight: 248.232 g/mol	logS: -3.84201	SlogP: 3.6088	Reactive groups: 0

Topological Properties
Globularity: 0.0336043	Sterimol/B1: 2.097	Sterimol/B2: 2.45278	Sterimol/B3: 3.53696
Sterimol/B4: 5.1945	Sterimol/L: 14.3959

Surface and Volume Properties
Accessible surface: 445.752	Positive charged surface: 230.477	Negative charged surface: 215.275	Volume: 218.875
Hydrophobic surface: 392.588	Hydrophilic surface: 53.164

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.