MMsINC Database Search


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MMsINC code: MMs00583185

Type: Neutral
Formula: C₁₄H₉Cl₂F₃N₂O

SMILES:

Clc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1C(F)(F)F

InChI:

InChI=1/C14H9Cl2F3N2O/c15-8-1-3-9(4-2-8)20-13(22)21-10-5-6-12(16)11(7-10)14(17,18)19/h1-7H,(H2,20,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.6939 kcal/mol

Physical Properties
Molecular Weight: 349.139 g/mol	logS: -5.77718	SlogP: 5.9677	Reactive groups: 0

Topological Properties
Globularity: 0.0506664	Sterimol/B1: 2.39233	Sterimol/B2: 3.6178	Sterimol/B3: 3.96706
Sterimol/B4: 3.99411	Sterimol/L: 16.8306

Surface and Volume Properties
Accessible surface: 523.001	Positive charged surface: 186.636	Negative charged surface: 336.365	Volume: 267.125
Hydrophobic surface: 369.056	Hydrophilic surface: 153.945

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.