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MMsINC code: MMs00539168

Type: Ionized
Formula: C₁₆H₁₂ClFNO₃-

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)/p-1/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.8445 kcal/mol

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

Topological Properties
Globularity: 0.161318	Sterimol/B1: 2.68095	Sterimol/B2: 5.02359	Sterimol/B3: 5.24317
Sterimol/B4: 6.60366	Sterimol/L: 14.615

Surface and Volume Properties
Accessible surface: 523.714	Positive charged surface: 228.681	Negative charged surface: 295.033	Volume: 280.25
Hydrophobic surface: 415.958	Hydrophilic surface: 107.756

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:

MMs00539167
CHEMBLOCK-ZINC03627769