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MMsINC code: MMs01713964

Type: Neutral
Formula: C₁₆H₁₁Cl₂N₃O₄

SMILES:

Clc1cc(Cl)cc(C(=O)c2cc3c(nc2)N(CC)C(=O)NC3=O)c1O

InChI:

InChI=1/C16H11Cl2N3O4/c1-2-21-14-10(15(24)20-16(21)25)3-7(6-19-14)12(22)9-4-8(17)5-11(18)13(9)23/h3-6,23H,2H2,1H3,(H,20,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.1605 kcal/mol

Physical Properties
Molecular Weight: 380.187 g/mol	logS: -4.39168	SlogP: 3.0147	Reactive groups: 0

Topological Properties
Globularity: 0.0976706	Sterimol/B1: 3.61982	Sterimol/B2: 4.06332	Sterimol/B3: 5.30846
Sterimol/B4: 5.83885	Sterimol/L: 15.2491

Surface and Volume Properties
Accessible surface: 568.011	Positive charged surface: 273.805	Negative charged surface: 294.207	Volume: 303.875
Hydrophobic surface: 356.237	Hydrophilic surface: 211.774

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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.