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MMsINC code: MMs00832235

Type: Ionized
Formula: C₂₀H₁₇FNO₂-

SMILES:

Fc1ccc(cc1)-c1n(-c2ccccc2C)c(cc1)CCC(=O)[O-]

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.0861 kcal/mol

Physical Properties
Molecular Weight: 322.359 g/mol	logS: -4.72276	SlogP: 3.27429	Reactive groups: 0

Topological Properties
Globularity: 0.18843	Sterimol/B1: 2.3942	Sterimol/B2: 5.31151	Sterimol/B3: 6.00911
Sterimol/B4: 6.24068	Sterimol/L: 15.1348

Surface and Volume Properties
Accessible surface: 545.169	Positive charged surface: 289.105	Negative charged surface: 256.064	Volume: 314.25
Hydrophobic surface: 447.426	Hydrophilic surface: 97.743

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

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Parent related molecule:

MMs00832234
CHEMDIV-ZINC00094799