MMsINC Database Search


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MMsINC code: MMs02366956

Type: Neutral
Formula: C₁₃H₉Cl₃O₂

SMILES:

Clc1cc(cc(Cl)c1O)Cc1cc(Cl)c(O)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.5222 kcal/mol

Physical Properties
Molecular Weight: 303.572 g/mol	logS: -4.98023	SlogP: 4.64877	Reactive groups: 0

Topological Properties
Globularity: 0.126033	Sterimol/B1: 3.42654	Sterimol/B2: 3.46156	Sterimol/B3: 3.73366
Sterimol/B4: 6.06964	Sterimol/L: 13.4759

Surface and Volume Properties
Accessible surface: 480.345	Positive charged surface: 186.715	Negative charged surface: 293.629	Volume: 245.625
Hydrophobic surface: 393.346	Hydrophilic surface: 86.999

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.