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MMsINC code: MMs00491849

Type: Neutral
Formula: C₁₅H₁₀Cl₂O₃

SMILES:

Clc1cc(Cl)ccc1C(Oc1ccc(cc1)C(=O)C)=O

InChI:

InChI=1/C15H10Cl2O3/c1-9(18)10-2-5-12(6-3-10)20-15(19)13-7-4-11(16)8-14(13)17/h2-8H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.9159 kcal/mol

Physical Properties
Molecular Weight: 309.148 g/mol	logS: -5.27979	SlogP: 4.4152	Reactive groups: 0

Topological Properties
Globularity: 0.0473998	Sterimol/B1: 3.13655	Sterimol/B2: 3.15235	Sterimol/B3: 3.71616
Sterimol/B4: 4.73466	Sterimol/L: 17.5379

Surface and Volume Properties
Accessible surface: 511.784	Positive charged surface: 213.65	Negative charged surface: 298.134	Volume: 263.375
Hydrophobic surface: 450.582	Hydrophilic surface: 61.202

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.