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MMsINC code: MMs00499775

Type: Ionized
Formula: C₁₆H₁₂ClFNO₃-

SMILES:

Clc1ccc(cc1)C(NC(=O)c1cc(F)ccc1)CC(=O)[O-]

InChI:

InChI=1/C16H13ClFNO3/c17-12-6-4-10(5-7-12)14(9-15(20)21)19-16(22)11-2-1-3-13(18)8-11/h1-8,14H,9H2,(H,19,22)(H,20,21)/p-1/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.5695 kcal/mol

Physical Properties
Molecular Weight: 320.727 g/mol	logS: -4.46639	SlogP: 2.1857	Reactive groups: 0

Topological Properties
Globularity: 0.1499	Sterimol/B1: 2.75589	Sterimol/B2: 3.84708	Sterimol/B3: 4.85325
Sterimol/B4: 7.78501	Sterimol/L: 14.5804

Surface and Volume Properties
Accessible surface: 528.811	Positive charged surface: 224.873	Negative charged surface: 303.938	Volume: 277.875
Hydrophobic surface: 420.027	Hydrophilic surface: 108.784

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 2	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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Parent related molecule:

MMs00499774
CHEMBLOCK-ZINC00112707