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MMsINC code: MMs02157389

Type: Neutral
Formula: C₁₈H₁₂Cl₂N₂O₄

SMILES:

Clc1cccc(Cl)c1-c1noc(C)c1C(ONC(=O)c1ccccc1)=O

InChI:

InChI=1/C18H12Cl2N2O4/c1-10-14(16(21-25-10)15-12(19)8-5-9-13(15)20)18(24)26-22-17(23)11-6-3-2-4-7-11/h2-9H,1H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.535 kcal/mol

Physical Properties
Molecular Weight: 391.21 g/mol	logS: -6.6425	SlogP: 4.45862	Reactive groups: 0

Topological Properties
Globularity: 0.122001	Sterimol/B1: 2.25164	Sterimol/B2: 4.57275	Sterimol/B3: 4.67287
Sterimol/B4: 10.2921	Sterimol/L: 14.8685

Surface and Volume Properties
Accessible surface: 610.449	Positive charged surface: 245.875	Negative charged surface: 364.574	Volume: 323.75
Hydrophobic surface: 525.261	Hydrophilic surface: 85.188

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.