MMsINC Database Search


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MMsINC code: MMs02648323

Type: Neutral
Formula: C₁₄H₉ClF₄N₂O

SMILES:

Clc1cc(cnc1NC(=O)Cc1ccc(F)cc1)C(F)(F)F

InChI:

InChI=1/C14H9ClF4N2O/c15-11-6-9(14(17,18)19)7-20-13(11)21-12(22)5-8-1-3-10(16)4-2-8/h1-4,6-7H,5H2,(H,20,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.1721 kcal/mol

Physical Properties
Molecular Weight: 332.684 g/mol	logS: -4.55528	SlogP: 4.38557	Reactive groups: 0

Topological Properties
Globularity: 0.0616208	Sterimol/B1: 2.42154	Sterimol/B2: 4.22638	Sterimol/B3: 4.8181
Sterimol/B4: 5.15797	Sterimol/L: 15.56

Surface and Volume Properties
Accessible surface: 516.257	Positive charged surface: 217.894	Negative charged surface: 298.363	Volume: 258.25
Hydrophobic surface: 362.398	Hydrophilic surface: 153.859

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.