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MMsINC code: MMs00967447

Type: Neutral
Formula: C₁₇H₁₁ClF₂N₂O₃

SMILES:

Clc1cc2c([nH]c(C(O)=O)c2CC(=O)Nc2ccc(F)cc2F)cc1

InChI:

InChI=1/C17H11ClF2N2O3/c18-8-1-3-13-10(5-8)11(16(22-13)17(24)25)7-15(23)21-14-4-2-9(19)6-12(14)20/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)=57.8294 kcal/mol

Physical Properties
Molecular Weight: 364.735 g/mol	logS: -5.15281	SlogP: 3.97887	Reactive groups: 0

Topological Properties
Globularity: 0.121132	Sterimol/B1: 2.46747	Sterimol/B2: 5.40253	Sterimol/B3: 5.95972
Sterimol/B4: 6.71947	Sterimol/L: 14.7381

Surface and Volume Properties
Accessible surface: 564.649	Positive charged surface: 257.619	Negative charged surface: 303.566	Volume: 293.625
Hydrophobic surface: 420.001	Hydrophilic surface: 144.648

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

MMs00967448
CHEMDIV-ZINC04920251