MMsINC Database Search


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MMsINC code: MMs02990618

Type: Neutral
Formula: C₁₅H₁₃Cl₂NO₄

SMILES:

Clc1cc(NC(=O)c2c(OC)cccc2OC)cc(Cl)c1O

InChI:

InChI=1/C15H13Cl2NO4/c1-21-11-4-3-5-12(22-2)13(11)15(20)18-8-6-9(16)14(19)10(17)7-8/h3-7,19H,1-2H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.816 kcal/mol

Physical Properties
Molecular Weight: 342.178 g/mol	logS: -4.56226	SlogP: 3.9685	Reactive groups: 0

Topological Properties
Globularity: 0.0715552	Sterimol/B1: 2.30985	Sterimol/B2: 3.81871	Sterimol/B3: 4.44927
Sterimol/B4: 9.5097	Sterimol/L: 14.8404

Surface and Volume Properties
Accessible surface: 564.162	Positive charged surface: 319.723	Negative charged surface: 244.439	Volume: 288.875
Hydrophobic surface: 478.736	Hydrophilic surface: 85.426

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.