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MMsINC code: MMs00569049

Type: Neutral
Formula: C₁₅H₁₀Cl₂FNO₃

SMILES:

Clc1cc(C(=O)Nc2cccc(F)c2C)c(cc1Cl)C(O)=O

InChI:

InChI=1/C15H10Cl2FNO3/c1-7-12(18)3-2-4-13(7)19-14(20)8-5-10(16)11(17)6-9(8)15(21)22/h2-6H,1H3,(H,19,20)(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.8385 kcal/mol

Physical Properties
Molecular Weight: 342.153 g/mol	logS: -5.2483	SlogP: 4.39142	Reactive groups: 0

Topological Properties
Globularity: 0.146011	Sterimol/B1: 2.35578	Sterimol/B2: 3.78923	Sterimol/B3: 5.64431
Sterimol/B4: 6.5193	Sterimol/L: 15.2965

Surface and Volume Properties
Accessible surface: 522.063	Positive charged surface: 222.422	Negative charged surface: 299.641	Volume: 273.875
Hydrophobic surface: 418.328	Hydrophilic surface: 103.735

Pharmacophoric Properties
Hydrogen bond donors: 3	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

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Ions/Tautomers related molecules

MMs00569050
CHEMBLOCK-ZINC04686996