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MMsINC code: MMs01478024

Type: Neutral
Formula: C₁₆H₁₄Cl₂N₂O₃

SMILES:

Clc1cc(Cl)cc(C(OCC(=O)Nc2ccccc2C)=O)c1N

InChI:

InChI=1/C16H14Cl2N2O3/c1-9-4-2-3-5-13(9)20-14(21)8-23-16(22)11-6-10(17)7-12(18)15(11)19/h2-7H,8,19H2,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.7346 kcal/mol

Physical Properties
Molecular Weight: 353.205 g/mol	logS: -5.11297	SlogP: 3.67952	Reactive groups: 0

Topological Properties
Globularity: 0.0149292	Sterimol/B1: 2.11315	Sterimol/B2: 2.33307	Sterimol/B3: 3.33685
Sterimol/B4: 7.70265	Sterimol/L: 18.0098

Surface and Volume Properties
Accessible surface: 584.665	Positive charged surface: 284.742	Negative charged surface: 299.923	Volume: 299.25
Hydrophobic surface: 477.101	Hydrophilic surface: 107.564

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