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MMsINC code: MMs02366953

Type: Neutral
Formula: C₁₃H₉Cl₃O₂

SMILES:

Clc1cc(Cl)cc(Cc2cccc(Cl)c2O)c1O

InChI:

InChI=1/C13H9Cl3O2/c14-9-5-8(13(18)11(16)6-9)4-7-2-1-3-10(15)12(7)17/h1-3,5-6,17-18H,4H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.4547 kcal/mol

Physical Properties
Molecular Weight: 303.572 g/mol	logS: -4.66678	SlogP: 4.64877	Reactive groups: 0

Topological Properties
Globularity: 0.168742	Sterimol/B1: 2.81319	Sterimol/B2: 3.01034	Sterimol/B3: 4.15574
Sterimol/B4: 6.45485	Sterimol/L: 11.688

Surface and Volume Properties
Accessible surface: 473.064	Positive charged surface: 180.039	Negative charged surface: 293.025	Volume: 247.25
Hydrophobic surface: 413.827	Hydrophilic surface: 59.237

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.