MMsINC Database Search


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MMsINC code: MMs01552757

Type: Neutral
Formula: C₁₆H₁₃Cl₂NO₄

SMILES:

Clc1cccc(NC(=O)COC(=O)c2cc(Cl)ccc2O)c1C

InChI:

InChI=1/C16H13Cl2NO4/c1-9-12(18)3-2-4-13(9)19-15(21)8-23-16(22)11-7-10(17)5-6-14(11)20/h2-7,20H,8H2,1H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.7318 kcal/mol

Physical Properties
Molecular Weight: 354.189 g/mol	logS: -5.03014	SlogP: 3.80292	Reactive groups: 0

Topological Properties
Globularity: 0.0174889	Sterimol/B1: 2.13291	Sterimol/B2: 2.55647	Sterimol/B3: 3.5016
Sterimol/B4: 7.52888	Sterimol/L: 17.8194

Surface and Volume Properties
Accessible surface: 580.217	Positive charged surface: 274.724	Negative charged surface: 305.493	Volume: 295.75
Hydrophobic surface: 467.842	Hydrophilic surface: 112.375

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.