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MMsINC code: MMs03067482

Type: Neutral
Formula: C₁₉H₁₈FNO₂

SMILES:

Fc1ccccc1-c1[nH]c2c(cccc2C(C)C)c1CC(O)=O

InChI:

InChI=1/C19H18FNO2/c1-11(2)12-7-5-8-13-15(10-17(22)23)19(21-18(12)13)14-6-3-4-9-16(14)20/h3-9,11,21H,10H2,1-2H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.0643 kcal/mol

Physical Properties
Molecular Weight: 311.356 g/mol	logS: -5.58672	SlogP: 4.72447	Reactive groups: 0

Topological Properties
Globularity: 0.104224	Sterimol/B1: 2.28581	Sterimol/B2: 3.88846	Sterimol/B3: 4.85836
Sterimol/B4: 6.43772	Sterimol/L: 13.644

Surface and Volume Properties
Accessible surface: 544.392	Positive charged surface: 325.338	Negative charged surface: 215.075	Volume: 300.375
Hydrophobic surface: 413.69	Hydrophilic surface: 130.702

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

MMs03067483
PUBCHEM-ZINC03742583