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MMsINC code: MMs00853769

Type: Ionized
Formula: C₂₁H₁₉FNO₂-

SMILES:

Fc1ccc(cc1)-c1n(CCc2ccccc2)c(cc1)CCC(=O)[O-]

InChI:

InChI=1/C21H20FNO2/c22-18-8-6-17(7-9-18)20-12-10-19(11-13-21(24)25)23(20)15-14-16-4-2-1-3-5-16/h1-10,12H,11,13-15H2,(H,24,25)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.758 kcal/mol

Physical Properties
Molecular Weight: 336.386 g/mol	logS: -4.5678	SlogP: 3.48574	Reactive groups: 0

Topological Properties
Globularity: 0.112139	Sterimol/B1: 2.47815	Sterimol/B2: 3.54025	Sterimol/B3: 3.79686
Sterimol/B4: 10.845	Sterimol/L: 14.4427

Surface and Volume Properties
Accessible surface: 567.684	Positive charged surface: 296.774	Negative charged surface: 270.91	Volume: 331.25
Hydrophobic surface: 480.867	Hydrophilic surface: 86.817

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 2	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

search links for this molecule:

Parent related molecule:

MMs00853768
CHEMDIV-ZINC00469923