MMsINC Database Search


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MMsINC code: MMs01084227

Type: Neutral
Formula: C₁₄H₈Cl₃F₃N₂O

SMILES:

Clc1ccc(cc1NC(=O)Nc1cc(Cl)c(Cl)cc1)C(F)(F)F

InChI:

InChI=1/C14H8Cl3F3N2O/c15-9-4-2-8(6-11(9)17)21-13(23)22-12-5-7(14(18,19)20)1-3-10(12)16/h1-6H,(H2,21,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.2896 kcal/mol

Physical Properties
Molecular Weight: 383.584 g/mol	logS: -6.51147	SlogP: 6.6211	Reactive groups: 0

Topological Properties
Globularity: 0.0505332	Sterimol/B1: 3.17158	Sterimol/B2: 3.76991	Sterimol/B3: 4.50159
Sterimol/B4: 5.62852	Sterimol/L: 15.4529

Surface and Volume Properties
Accessible surface: 550.216	Positive charged surface: 164.001	Negative charged surface: 386.215	Volume: 283.25
Hydrophobic surface: 395.599	Hydrophilic surface: 154.617

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.