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MMsINC code: MMs02370521

Type: Neutral
Formula: C₁₁H₁₂FNO₃

SMILES:

FCC(=O)NC(Cc1ccccc1)C(O)=O

InChI:

InChI=1/C11H12FNO3/c12-7-10(14)13-9(11(15)16)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14)(H,15,16)/t9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.2808 kcal/mol

Physical Properties
Molecular Weight: 225.219 g/mol	logS: -1.91201	SlogP: 0.76797	Reactive groups: 1

Topological Properties
Globularity: 0.160644	Sterimol/B1: 3.29536	Sterimol/B2: 3.57007	Sterimol/B3: 4.27347
Sterimol/B4: 5.47094	Sterimol/L: 11.1278

Surface and Volume Properties
Accessible surface: 425.229	Positive charged surface: 235.173	Negative charged surface: 190.056	Volume: 205
Hydrophobic surface: 248.22	Hydrophilic surface: 177.009

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02370522
NCID-ZINC01768371