MMsINC Database Search


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MMsINC code: MMs00174937

Type: Neutral
Formula: C₁₆H₁₄Cl₂N₂O₄

SMILES:

Clc1cc(Cl)ccc1OCC(=O)NC(=O)Nc1ccc(OC)cc1

InChI:

InChI=1/C16H14Cl2N2O4/c1-23-12-5-3-11(4-6-12)19-16(22)20-15(21)9-24-14-7-2-10(17)8-13(14)18/h2-8H,9H2,1H3,(H2,19,20,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.1593 kcal/mol

Physical Properties
Molecular Weight: 369.204 g/mol	logS: -5.17918	SlogP: 3.7291	Reactive groups: 0

Topological Properties
Globularity: 0.00892768	Sterimol/B1: 2.52518	Sterimol/B2: 3.09395	Sterimol/B3: 3.91047
Sterimol/B4: 4.87524	Sterimol/L: 22.0535

Surface and Volume Properties
Accessible surface: 615.912	Positive charged surface: 319.774	Negative charged surface: 296.137	Volume: 310.625
Hydrophobic surface: 502.337	Hydrophilic surface: 113.575

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.