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MMsINC code: MMs00967453

Type: Neutral
Formula: C₁₇H₁₂ClFN₂O₃

SMILES:

Clc1cc2c([nH]c(C(O)=O)c2CC(=O)Nc2ccccc2F)cc1

InChI:

InChI=1/C17H12ClFN2O3/c18-9-5-6-13-10(7-9)11(16(21-13)17(23)24)8-15(22)20-14-4-2-1-3-12(14)19/h1-7,21H,8H2,(H,20,22)(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.2713 kcal/mol

Physical Properties
Molecular Weight: 346.745 g/mol	logS: -4.85783	SlogP: 3.83977	Reactive groups: 0

Topological Properties
Globularity: 0.120376	Sterimol/B1: 2.46273	Sterimol/B2: 5.41882	Sterimol/B3: 5.9617
Sterimol/B4: 6.71548	Sterimol/L: 14.5446

Surface and Volume Properties
Accessible surface: 551.247	Positive charged surface: 266.117	Negative charged surface: 281.42	Volume: 291.25
Hydrophobic surface: 411.089	Hydrophilic surface: 140.158

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

MMs00967454
CHEMDIV-ZINC04920264