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MMsINC code: MMs03449550

Type: Neutral
Formula: C₁₉H₁₆FNO₂

SMILES:

Fc1ccc(cc1)-c1cn(c(C)c1C(O)=O)-c1ccc(cc1)C

InChI:

InChI=1/C19H16FNO2/c1-12-3-9-16(10-4-12)21-11-17(18(13(21)2)19(22)23)14-5-7-15(20)8-6-14/h3-11H,1-2H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.2675 kcal/mol

Physical Properties
Molecular Weight: 309.34 g/mol	logS: -5.02404	SlogP: 4.59844	Reactive groups: 0

Topological Properties
Globularity: 0.0621164	Sterimol/B1: 3.15464	Sterimol/B2: 3.23396	Sterimol/B3: 3.2854
Sterimol/B4: 6.24864	Sterimol/L: 16.4116

Surface and Volume Properties
Accessible surface: 553.703	Positive charged surface: 284.543	Negative charged surface: 269.16	Volume: 296.875
Hydrophobic surface: 458.21	Hydrophilic surface: 95.493

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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

MMs03449551
PUBCHEM-ZINC05930978