MMsINC Database Search


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MMsINC code: MMs02165781

Type: Neutral
Formula: C₁₄H₈Cl₄O₂

SMILES:

Clc1cccc(Cl)c1C(Oc1c(Cl)cc(cc1Cl)C)=O

InChI:

InChI=1/C14H8Cl4O2/c1-7-5-10(17)13(11(18)6-7)20-14(19)12-8(15)3-2-4-9(12)16/h2-6H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.5931 kcal/mol

Physical Properties
Molecular Weight: 350.028 g/mol	logS: -6.91002	SlogP: 5.82782	Reactive groups: 0

Topological Properties
Globularity: 0.0151048	Sterimol/B1: 2.78598	Sterimol/B2: 3.03486	Sterimol/B3: 4.75981
Sterimol/B4: 4.76069	Sterimol/L: 15.1475

Surface and Volume Properties
Accessible surface: 487.193	Positive charged surface: 171.813	Negative charged surface: 315.38	Volume: 277.125
Hydrophobic surface: 459.782	Hydrophilic surface: 27.411

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.