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MMsINC code: MMs00659507

Type: Neutral
Formula: C₂₀H₁₄Cl₂N₂O₂

SMILES:

Clc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1ccccc1Cl

InChI:

InChI=1/C20H14Cl2N2O2/c21-15-9-3-1-7-13(15)19(25)23-17-11-5-2-8-14(17)20(26)24-18-12-6-4-10-16(18)22/h1-12H,(H,23,25)(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.728 kcal/mol

Physical Properties
Molecular Weight: 385.25 g/mol	logS: -6.79344	SlogP: 5.498	Reactive groups: 0

Topological Properties
Globularity: 0.0268409	Sterimol/B1: 2.42463	Sterimol/B2: 3.20911	Sterimol/B3: 3.30383
Sterimol/B4: 9.64745	Sterimol/L: 15.9748

Surface and Volume Properties
Accessible surface: 609.868	Positive charged surface: 273.826	Negative charged surface: 336.043	Volume: 337.375
Hydrophobic surface: 571.053	Hydrophilic surface: 38.815

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.