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MMsINC code: MMs02832908

Type: Neutral
Formula: C₁₈H₁₂Cl₂N₂O₅

SMILES:

ClC1=C(Nc2cc(Cl)ccc2O)C(=O)N(C1=O)c1ccccc1C(OC)=O

InChI:

InChI=1/C18H12Cl2N2O5/c1-27-18(26)10-4-2-3-5-12(10)22-16(24)14(20)15(17(22)25)21-11-8-9(19)6-7-13(11)23/h2-8,21,23H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.643 kcal/mol

Physical Properties
Molecular Weight: 407.209 g/mol	logS: -5.7642	SlogP: 3.3768	Reactive groups: 1

Topological Properties
Globularity: 0.099372	Sterimol/B1: 1.969	Sterimol/B2: 2.12961	Sterimol/B3: 6.51923
Sterimol/B4: 8.86938	Sterimol/L: 14.4295

Surface and Volume Properties
Accessible surface: 618.957	Positive charged surface: 295.667	Negative charged surface: 323.29	Volume: 330.875
Hydrophobic surface: 482.406	Hydrophilic surface: 136.551

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.