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MMsINC code: MMs00499885

Type: Neutral
Formula: C₁₈H₁₈FNO₄

SMILES:

Fc1ccc(cc1)C(=O)NC(CC(O)=O)c1ccc(OCC)cc1

InChI:

InChI=1/C18H18FNO4/c1-2-24-15-9-5-12(6-10-15)16(11-17(21)22)20-18(23)13-3-7-14(19)8-4-13/h3-10,16H,2,11H2,1H3,(H,20,23)(H,21,22)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.6389 kcal/mol

Physical Properties
Molecular Weight: 331.343 g/mol	logS: -3.84924	SlogP: 3.2657	Reactive groups: 0

Topological Properties
Globularity: 0.0587254	Sterimol/B1: 2.81211	Sterimol/B2: 3.39784	Sterimol/B3: 3.57984
Sterimol/B4: 8.98235	Sterimol/L: 17.0044

Surface and Volume Properties
Accessible surface: 585.67	Positive charged surface: 334.167	Negative charged surface: 251.503	Volume: 306
Hydrophobic surface: 438.777	Hydrophilic surface: 146.893

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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

MMs00499886
CHEMBLOCK-ZINC00116256