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MMsINC code: MMs01315015

Type: Neutral
Formula: C₁₄H₈ClFNO₃-

SMILES:

Clc1cc(NC(=O)c2ccc(F)cc2)c(cc1)C(=O)[O-]

InChI:

InChI=1/C14H9ClFNO3/c15-9-3-6-11(14(19)20)12(7-9)17-13(18)8-1-4-10(16)5-2-8/h1-7H,(H,17,18)(H,19,20)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.0699 kcal/mol

Physical Properties
Molecular Weight: 292.673 g/mol	logS: -4.61399	SlogP: 2.0949	Reactive groups: 0

Topological Properties
Globularity: 0.0135122	Sterimol/B1: 2.097	Sterimol/B2: 2.98692	Sterimol/B3: 4.35598
Sterimol/B4: 5.86818	Sterimol/L: 14.6132

Surface and Volume Properties
Accessible surface: 472.937	Positive charged surface: 181.673	Negative charged surface: 291.264	Volume: 241.125
Hydrophobic surface: 367.259	Hydrophilic surface: 105.678

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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

search links for this molecule:

Ions/Tautomers related molecules

MMs01315016
ENAMINE-ZINC03223887