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MMsINC code: MMs00967440

Type: Neutral
Formula: C₁₇H₁₁Cl₂FN₂O₃

SMILES:

Clc1cc(NC(=O)Cc2c3cc(Cl)ccc3[nH]c2C(O)=O)ccc1F

InChI:

InChI=1/C17H11Cl2FN2O3/c18-8-1-4-14-10(5-8)11(16(22-14)17(24)25)7-15(23)21-9-2-3-13(20)12(19)6-9/h1-6,22H,7H2,(H,21,23)(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.528 kcal/mol

Physical Properties
Molecular Weight: 381.19 g/mol	logS: -5.59212	SlogP: 4.49317	Reactive groups: 0

Topological Properties
Globularity: 0.113326	Sterimol/B1: 3.21574	Sterimol/B2: 4.48536	Sterimol/B3: 5.65912
Sterimol/B4: 7.04311	Sterimol/L: 15.483

Surface and Volume Properties
Accessible surface: 583.456	Positive charged surface: 247.564	Negative charged surface: 331.867	Volume: 304.25
Hydrophobic surface: 438.064	Hydrophilic surface: 145.392

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

MMs00967441
CHEMDIV-ZINC04920242