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MMsINC code: MMs02172741

Type: Neutral
Formula: C₁₇H₁₄Cl₂FNO₃

SMILES:

Clc1cccc(Cl)c1C(CC(=O)Nc1ccc(F)cc1)CC(O)=O

InChI:

InChI=1/C17H14Cl2FNO3/c18-13-2-1-3-14(19)17(13)10(9-16(23)24)8-15(22)21-12-6-4-11(20)5-7-12/h1-7,10H,8-9H2,(H,21,22)(H,23,24)/t10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.3391 kcal/mol

Physical Properties
Molecular Weight: 370.207 g/mol	logS: -4.81414	SlogP: 4.7196	Reactive groups: 0

Topological Properties
Globularity: 0.167611	Sterimol/B1: 2.55074	Sterimol/B2: 4.21679	Sterimol/B3: 5.09646
Sterimol/B4: 9.0492	Sterimol/L: 14.5044

Surface and Volume Properties
Accessible surface: 564.328	Positive charged surface: 256.233	Negative charged surface: 308.095	Volume: 307.75
Hydrophobic surface: 447.047	Hydrophilic surface: 117.281

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

MMs02172742
MAYBRIDGE-ZINC04377485