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MMsINC code: MMs01423326

Type: Neutral
Formula: C₁₆H₁₃Cl₂FN₂O₂

SMILES:

Clc1ccc(Cl)cc1NC(=O)CNC(=O)Cc1ccccc1F

InChI:

InChI=1/C16H13Cl2FN2O2/c17-11-5-6-12(18)14(8-11)21-16(23)9-20-15(22)7-10-3-1-2-4-13(10)19/h1-6,8H,7,9H2,(H,20,22)(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.0798 kcal/mol

Physical Properties
Molecular Weight: 355.196 g/mol	logS: -5.35247	SlogP: 3.42987	Reactive groups: 0

Topological Properties
Globularity: 0.0373287	Sterimol/B1: 2.67001	Sterimol/B2: 4.29332	Sterimol/B3: 4.56352
Sterimol/B4: 5.88947	Sterimol/L: 18.5259

Surface and Volume Properties
Accessible surface: 585.861	Positive charged surface: 267.66	Negative charged surface: 318.201	Volume: 299.5
Hydrophobic surface: 500.58	Hydrophilic surface: 85.281

Pharmacophoric Properties
Hydrogen bond donors: 2	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.