MMsINC Database Search


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MMsINC code: MMs02674519

Type: Neutral
Formula: C₁₃H₈Cl₃FN₂O

SMILES:

Clc1cc(Cl)c(Cl)cc1NC(=O)Nc1ccc(F)cc1

InChI:

InChI=1/C13H8Cl3FN2O/c14-9-5-11(16)12(6-10(9)15)19-13(20)18-8-3-1-7(17)2-4-8/h1-6H,(H2,18,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.9874 kcal/mol

Physical Properties
Molecular Weight: 333.577 g/mol	logS: -5.7499	SlogP: 5.4299	Reactive groups: 0

Topological Properties
Globularity: 0.0392213	Sterimol/B1: 2.29662	Sterimol/B2: 4.0916	Sterimol/B3: 4.48542
Sterimol/B4: 5.40428	Sterimol/L: 15.7727

Surface and Volume Properties
Accessible surface: 509.014	Positive charged surface: 181.064	Negative charged surface: 327.95	Volume: 260.125
Hydrophobic surface: 458.732	Hydrophilic surface: 50.282

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.