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MMsINC code: MMs00723472

Type: Ionized
Formula: C₁₅H₁₀ClFNO₄-

SMILES:

Clc1cc(NC(=O)COc2ccc(F)cc2)c(cc1)C(=O)[O-]

InChI:

InChI=1/C15H11ClFNO4/c16-9-1-6-12(15(20)21)13(7-9)18-14(19)8-22-11-4-2-10(17)3-5-11/h1-7H,8H2,(H,18,19)(H,20,21)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.7572 kcal/mol

Physical Properties
Molecular Weight: 322.699 g/mol	logS: -4.69081	SlogP: 1.8601	Reactive groups: 0

Topological Properties
Globularity: 0.00294876	Sterimol/B1: 2.38476	Sterimol/B2: 2.38775	Sterimol/B3: 3.85253
Sterimol/B4: 6.56701	Sterimol/L: 16.9496

Surface and Volume Properties
Accessible surface: 528.444	Positive charged surface: 223.028	Negative charged surface: 305.416	Volume: 270.625
Hydrophobic surface: 406.091	Hydrophilic surface: 122.353

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 2	Basic groups: 0
Chiral centers: 0

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:

MMs00723471
CHEMBRIDGE-ZINC02838375