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MMsINC code: MMs03245122

Type: Neutral
Formula: C₁₆H₁₁Cl₂FO₃

SMILES:

Clc1cccc(F)c1C(CC(=O)c1ccc(Cl)cc1)C(O)=O

InChI:

InChI=1/C16H11Cl2FO3/c17-10-6-4-9(5-7-10)14(20)8-11(16(21)22)15-12(18)2-1-3-13(15)19/h1-7,11H,8H2,(H,21,22)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.1279 kcal/mol

Physical Properties
Molecular Weight: 341.165 g/mol	logS: -5.03504	SlogP: 4.5737	Reactive groups: 0

Topological Properties
Globularity: 0.0907327	Sterimol/B1: 3.11292	Sterimol/B2: 3.78462	Sterimol/B3: 4.3893
Sterimol/B4: 6.04799	Sterimol/L: 15.8193

Surface and Volume Properties
Accessible surface: 518.382	Positive charged surface: 214.861	Negative charged surface: 303.52	Volume: 277
Hydrophobic surface: 428.772	Hydrophilic surface: 89.61

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs03245123
PUBCHEM-ZINC05344193