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MMsINC code: MMs01246371

Type: Neutral
Formula: C₁₈H₁₂Cl₂N₂O₅

SMILES:

Clc1cc(NC(=O)COC(=O)CN2C(=O)c3c(cccc3)C2=O)cc(Cl)c1

InChI:

InChI=1/C18H12Cl2N2O5/c19-10-5-11(20)7-12(6-10)21-15(23)9-27-16(24)8-22-17(25)13-3-1-2-4-14(13)18(22)26/h1-7H,8-9H2,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.1772 kcal/mol

Physical Properties
Molecular Weight: 407.209 g/mol	logS: -5.80791	SlogP: 2.7713	Reactive groups: 1

Topological Properties
Globularity: 0.0313809	Sterimol/B1: 2.56055	Sterimol/B2: 4.25821	Sterimol/B3: 4.92164
Sterimol/B4: 5.03037	Sterimol/L: 20.4532

Surface and Volume Properties
Accessible surface: 646.67	Positive charged surface: 286.172	Negative charged surface: 360.499	Volume: 333.375
Hydrophobic surface: 482.209	Hydrophilic surface: 164.461

Pharmacophoric Properties
Hydrogen bond donors: 1	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.