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MMsINC code: MMs03067388

Type: Neutral
Formula: C₁₈H₁₆FNO₂

SMILES:

Fc1cc(ccc1)-c1[nH]c2c(cccc2CC)c1CC(O)=O

InChI:

InChI=1/C18H16FNO2/c1-2-11-5-4-8-14-15(10-16(21)22)18(20-17(11)14)12-6-3-7-13(19)9-12/h3-9,20H,2,10H2,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.2006 kcal/mol

Physical Properties
Molecular Weight: 297.329 g/mol	logS: -5.0715	SlogP: 4.16344	Reactive groups: 0

Topological Properties
Globularity: 0.0965553	Sterimol/B1: 1.99183	Sterimol/B2: 2.94999	Sterimol/B3: 4.403
Sterimol/B4: 7.53749	Sterimol/L: 13.4061

Surface and Volume Properties
Accessible surface: 517.796	Positive charged surface: 286.727	Negative charged surface: 228.266	Volume: 280.875
Hydrophobic surface: 402.794	Hydrophilic surface: 115.002

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs03067389
PUBCHEM-ZINC03742468