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MMsINC code: MMs00499917

Type: Neutral
Formula: C₁₈H₁₈FNO₅

SMILES:

Fc1ccccc1C(=O)NC(CC(O)=O)c1cc(OC)c(OC)cc1

InChI:

InChI=1/C18H18FNO5/c1-24-15-8-7-11(9-16(15)25-2)14(10-17(21)22)20-18(23)12-5-3-4-6-13(12)19/h3-9,14H,10H2,1-2H3,(H,20,23)(H,21,22)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.4783 kcal/mol

Physical Properties
Molecular Weight: 347.342 g/mol	logS: -3.57241	SlogP: 2.8842	Reactive groups: 0

Topological Properties
Globularity: 0.116682	Sterimol/B1: 2.05946	Sterimol/B2: 4.22061	Sterimol/B3: 4.59677
Sterimol/B4: 8.76841	Sterimol/L: 15.2635

Surface and Volume Properties
Accessible surface: 586.028	Positive charged surface: 382.865	Negative charged surface: 203.163	Volume: 312.875
Hydrophobic surface: 460.59	Hydrophilic surface: 125.438

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	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

MMs00499918
CHEMBLOCK-ZINC00116759