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MMsINC code: MMs00539167

Type: Neutral
Formula: C₁₆H₁₃ClFNO₃

SMILES:

Clc1ccc(cc1)C(NC(=O)c1ccccc1F)CC(O)=O

InChI:

InChI=1/C16H13ClFNO3/c17-11-7-5-10(6-8-11)14(9-15(20)21)19-16(22)12-3-1-2-4-13(12)18/h1-8,14H,9H2,(H,19,22)(H,20,21)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.2487 kcal/mol

Physical Properties
Molecular Weight: 321.735 g/mol	logS: -4.20594	SlogP: 3.5204	Reactive groups: 0

Topological Properties
Globularity: 0.15325	Sterimol/B1: 2.62227	Sterimol/B2: 5.08069	Sterimol/B3: 5.47943
Sterimol/B4: 6.74444	Sterimol/L: 14.5006

Surface and Volume Properties
Accessible surface: 536.943	Positive charged surface: 250.307	Negative charged surface: 286.636	Volume: 279
Hydrophobic surface: 425.504	Hydrophilic surface: 111.439

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

MMs00539168
CHEMBLOCK-ZINC03627769