MMsINC Database Search


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MMsINC code: MMs02819971

Type: Neutral
Formula: C₁₃H₁₁F₂N₃O

SMILES:

Fc1ccc(F)cc1NC(=O)Nc1nccc(c1)C

InChI:

InChI=1/C13H11F2N3O/c1-8-4-5-16-12(6-8)18-13(19)17-11-7-9(14)2-3-10(11)15/h2-7H,1H3,(H2,16,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.8733 kcal/mol

Physical Properties
Molecular Weight: 263.247 g/mol	logS: -3.36905	SlogP: 3.31222	Reactive groups: 0

Topological Properties
Globularity: 0.0123199	Sterimol/B1: 2.49545	Sterimol/B2: 2.55007	Sterimol/B3: 3.40609
Sterimol/B4: 5.06035	Sterimol/L: 15.6529

Surface and Volume Properties
Accessible surface: 473.584	Positive charged surface: 277.592	Negative charged surface: 195.993	Volume: 227.875
Hydrophobic surface: 399.715	Hydrophilic surface: 73.869

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.