MMsINC Database Search


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MMsINC code: MMs02258522

Type: Neutral
Formula: C₁₃H₇Cl₄NO₂

SMILES:

Clc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cc2Cl)c1O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.5664 kcal/mol

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

Topological Properties
Globularity: 0.0176904	Sterimol/B1: 2.11117	Sterimol/B2: 2.95853	Sterimol/B3: 3.40374
Sterimol/B4: 6.38383	Sterimol/L: 15.6658

Surface and Volume Properties
Accessible surface: 515.312	Positive charged surface: 150.624	Negative charged surface: 364.688	Volume: 266.375
Hydrophobic surface: 453.955	Hydrophilic surface: 61.357

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.