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MMsINC code: MMs03071612

Type: Neutral
Formula: C₁₇H₁₁ClFNO₂

SMILES:

Clc1cc(F)c2nc(cc(c2c1)C(O)=O)-c1ccccc1C

InChI:

InChI=1/C17H11ClFNO2/c1-9-4-2-3-5-11(9)15-8-13(17(21)22)12-6-10(18)7-14(19)16(12)20-15/h2-8H,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.8148 kcal/mol

Physical Properties
Molecular Weight: 315.731 g/mol	logS: -5.84119	SlogP: 4.70092	Reactive groups: 0

Topological Properties
Globularity: 0.0691134	Sterimol/B1: 2.36914	Sterimol/B2: 2.96656	Sterimol/B3: 4.37857
Sterimol/B4: 7.72821	Sterimol/L: 15.3546

Surface and Volume Properties
Accessible surface: 506.655	Positive charged surface: 228.728	Negative charged surface: 269.07	Volume: 273.75
Hydrophobic surface: 406.424	Hydrophilic surface: 100.231

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs03071613
PUBCHEM-ZINC03757060