MMsINC Database Search


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MMsINC code: MMs00781918

Type: Neutral
Formula: C₁₇H₁₁ClF₂N₂O₂

SMILES:

Clc1ccccc1-c1noc(C)c1C(=O)Nc1cc(F)cc(F)c1

InChI:

InChI=1/C17H11ClF2N2O2/c1-9-15(16(22-24-9)13-4-2-3-5-14(13)18)17(23)21-12-7-10(19)6-11(20)8-12/h2-8H,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.9905 kcal/mol

Physical Properties
Molecular Weight: 348.736 g/mol	logS: -6.03404	SlogP: 4.83392	Reactive groups: 0

Topological Properties
Globularity: 0.144755	Sterimol/B1: 2.40207	Sterimol/B2: 3.83026	Sterimol/B3: 3.99987
Sterimol/B4: 9.71937	Sterimol/L: 13.1193

Surface and Volume Properties
Accessible surface: 545.275	Positive charged surface: 226.886	Negative charged surface: 318.389	Volume: 290
Hydrophobic surface: 496.994	Hydrophilic surface: 48.281

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.