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MMsINC code: MMs00499863

Type: Neutral
Formula: C₁₆H₁₂ClF₂NO₃

SMILES:

Clc1ccc(cc1)C(NC(=O)c1c(F)cccc1F)CC(O)=O

InChI:

InChI=1/C16H12ClF2NO3/c17-10-6-4-9(5-7-10)13(8-14(21)22)20-16(23)15-11(18)2-1-3-12(15)19/h1-7,13H,8H2,(H,20,23)(H,21,22)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.6211 kcal/mol

Physical Properties
Molecular Weight: 339.725 g/mol	logS: -4.50092	SlogP: 3.6595	Reactive groups: 0

Topological Properties
Globularity: 0.10775	Sterimol/B1: 3.14324	Sterimol/B2: 3.97065	Sterimol/B3: 4.68718
Sterimol/B4: 7.75265	Sterimol/L: 14.0743

Surface and Volume Properties
Accessible surface: 530.129	Positive charged surface: 244.913	Negative charged surface: 285.216	Volume: 282
Hydrophobic surface: 410.472	Hydrophilic surface: 119.657

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs00499864
CHEMBLOCK-ZINC00116177