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MMsINC code: MMs02836455

Type: Neutral
Formula: C₁₈H₁₂Cl₂N₂O₄

SMILES:

ClC1=C(Nc2ccc(Cl)cc2)C(=O)N(C1=O)c1cc(ccc1)C(OC)=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.528 kcal/mol

Physical Properties
Molecular Weight: 391.21 g/mol	logS: -6.12615	SlogP: 3.6712	Reactive groups: 1

Topological Properties
Globularity: 0.0418396	Sterimol/B1: 3.11706	Sterimol/B2: 3.83732	Sterimol/B3: 4.71972
Sterimol/B4: 5.99953	Sterimol/L: 18.5269

Surface and Volume Properties
Accessible surface: 610.739	Positive charged surface: 285.217	Negative charged surface: 325.521	Volume: 324.625
Hydrophobic surface: 495.511	Hydrophilic surface: 115.228

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.