MMsINC Database Search


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MMsINC code: MMs00605505

Type: Neutral
Formula: C₁₄H₁₂Cl₂O₂

SMILES:

Clc1ccc(cc1OC)-c1cc(OC)c(Cl)cc1

InChI:

InChI=1/C14H12Cl2O2/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2/h3-8H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.4751 kcal/mol

Physical Properties
Molecular Weight: 283.154 g/mol	logS: -5.3806	SlogP: 4.6776	Reactive groups: 0

Topological Properties
Globularity: 0.011121	Sterimol/B1: 2.37544	Sterimol/B2: 2.37569	Sterimol/B3: 3.79878
Sterimol/B4: 6.52722	Sterimol/L: 13.6329

Surface and Volume Properties
Accessible surface: 491.583	Positive charged surface: 248.747	Negative charged surface: 231.765	Volume: 252.875
Hydrophobic surface: 479.653	Hydrophilic surface: 11.93

Pharmacophoric Properties
Hydrogen bond donors: 0	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.