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MMsINC code: MMs00967476

Type: Neutral
Formula: C₁₈H₁₄ClFN₂O₃

SMILES:

Clc1cc2c([nH]c(C(O)=O)c2CC(=O)NCc2ccc(F)cc2)cc1

InChI:

InChI=1/C18H14ClFN2O3/c19-11-3-6-15-13(7-11)14(17(22-15)18(24)25)8-16(23)21-9-10-1-4-12(20)5-2-10/h1-7,22H,8-9H2,(H,21,23)(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.848 kcal/mol

Physical Properties
Molecular Weight: 360.772 g/mol	logS: -4.80187	SlogP: 3.78387	Reactive groups: 0

Topological Properties
Globularity: 0.033827	Sterimol/B1: 2.92843	Sterimol/B2: 3.44576	Sterimol/B3: 5.03482
Sterimol/B4: 7.72333	Sterimol/L: 16.9605

Surface and Volume Properties
Accessible surface: 596.578	Positive charged surface: 295.299	Negative charged surface: 297.622	Volume: 311.625
Hydrophobic surface: 441.681	Hydrophilic surface: 154.897

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 3	Acid groups: 0	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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Ions/Tautomers related molecules

MMs00967477
CHEMDIV-ZINC04920321