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MMsINC code: MMs02632394

Type: Neutral
Formula: C₂₀H₁₈FNO₂

SMILES:

Fc1ccc(cc1)-c1n(c(cc1)CCC(O)=O)-c1cc(ccc1)C

InChI:

InChI=1/C20H18FNO2/c1-14-3-2-4-18(13-14)22-17(10-12-20(23)24)9-11-19(22)15-5-7-16(21)8-6-15/h2-9,11,13H,10,12H2,1H3,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.5169 kcal/mol

Physical Properties
Molecular Weight: 323.367 g/mol	logS: -4.77576	SlogP: 4.60899	Reactive groups: 0

Topological Properties
Globularity: 0.132672	Sterimol/B1: 2.49196	Sterimol/B2: 2.49387	Sterimol/B3: 5.25151
Sterimol/B4: 8.96863	Sterimol/L: 15.5531

Surface and Volume Properties
Accessible surface: 560.581	Positive charged surface: 307.46	Negative charged surface: 253.121	Volume: 313.25
Hydrophobic surface: 457.055	Hydrophilic surface: 103.526

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

MMs02632395
PUBCHEM-ZINC00094796