MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01505849

Type: Neutral
Formula: C₁₅H₁₂Cl₂O₄

SMILES:

Clc1ccc(Cl)cc1OC(=O)c1cc(OC)cc(OC)c1

InChI:

InChI=1/C15H12Cl2O4/c1-19-11-5-9(6-12(8-11)20-2)15(18)21-14-7-10(16)3-4-13(14)17/h3-8H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.4886 kcal/mol

Physical Properties
Molecular Weight: 327.163 g/mol	logS: -5.06828	SlogP: 4.2298	Reactive groups: 0

Topological Properties
Globularity: 0.0612587	Sterimol/B1: 2.4306	Sterimol/B2: 4.54808	Sterimol/B3: 5.02684
Sterimol/B4: 7.08469	Sterimol/L: 15.3424

Surface and Volume Properties
Accessible surface: 542.325	Positive charged surface: 289.995	Negative charged surface: 252.33	Volume: 276.375
Hydrophobic surface: 496.59	Hydrophilic surface: 45.735

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.