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MMsINC code: MMs00832236

Type: Neutral
Formula: C₂₁H₂₀FNO₂

SMILES:

Fc1ccc(cc1)-c1n(-c2cccc(C)c2C)c(cc1)CCC(O)=O

InChI:

InChI=1/C21H20FNO2/c1-14-4-3-5-19(15(14)2)23-18(11-13-21(24)25)10-12-20(23)16-6-8-17(22)9-7-16/h3-10,12H,11,13H2,1-2H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.0795 kcal/mol

Physical Properties
Molecular Weight: 337.394 g/mol	logS: -4.93623	SlogP: 4.91741	Reactive groups: 0

Topological Properties
Globularity: 0.209382	Sterimol/B1: 2.39183	Sterimol/B2: 2.99139	Sterimol/B3: 5.76389
Sterimol/B4: 9.19233	Sterimol/L: 15.5756

Surface and Volume Properties
Accessible surface: 571.245	Positive charged surface: 319.271	Negative charged surface: 251.974	Volume: 330.875
Hydrophobic surface: 469.361	Hydrophilic surface: 101.884

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

MMs00832237
CHEMDIV-ZINC00094803