MMsINC Database Search


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MMsINC code: MMs02726793

Type: Neutral
Formula: C₁₃H₇Cl₄NO₂

SMILES:

Clc1cc(NC(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1O

InChI:

InChI=1/C13H7Cl4NO2/c14-6-1-2-8(9(15)3-6)13(20)18-7-4-10(16)12(19)11(17)5-7/h1-5,19H,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.7664 kcal/mol

Physical Properties
Molecular Weight: 351.016 g/mol	logS: -5.93008	SlogP: 5.2581	Reactive groups: 0

Topological Properties
Globularity: 0.0155424	Sterimol/B1: 2.3847	Sterimol/B2: 3.1675	Sterimol/B3: 3.3358
Sterimol/B4: 6.15396	Sterimol/L: 16.0518

Surface and Volume Properties
Accessible surface: 511.609	Positive charged surface: 156.572	Negative charged surface: 355.037	Volume: 266.25
Hydrophobic surface: 444.653	Hydrophilic surface: 66.956

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.