MMsINC Database Search


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MMsINC code: MMs00537209

Type: Neutral
Formula: C₁₃H₇Cl₃F₂N₂O

SMILES:

Clc1cc(F)c(F)cc1NC(=O)Nc1cc(Cl)c(Cl)cc1

InChI:

InChI=1/C13H7Cl3F2N2O/c14-7-2-1-6(3-8(7)15)19-13(21)20-12-5-11(18)10(17)4-9(12)16/h1-5H,(H2,19,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.9813 kcal/mol

Physical Properties
Molecular Weight: 351.567 g/mol	logS: -6.04488	SlogP: 5.569	Reactive groups: 0

Topological Properties
Globularity: 0.0400121	Sterimol/B1: 2.37425	Sterimol/B2: 3.56369	Sterimol/B3: 4.21848
Sterimol/B4: 5.33133	Sterimol/L: 15.7698

Surface and Volume Properties
Accessible surface: 517.392	Positive charged surface: 171.853	Negative charged surface: 345.54	Volume: 260.25
Hydrophobic surface: 467.218	Hydrophilic surface: 50.174

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.