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MMsINC code: MMs00091648

Type: Neutral
Formula: C₁₈H₁₈FNO₅

SMILES:

Fc1ccc(cc1)C(=O)NC(CC(O)=O)c1cc(OC)c(OC)cc1

InChI:

InChI=1/C18H18FNO5/c1-24-15-8-5-12(9-16(15)25-2)14(10-17(21)22)20-18(23)11-3-6-13(19)7-4-11/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)=77.7649 kcal/mol

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

Topological Properties
Globularity: 0.115652	Sterimol/B1: 2.05526	Sterimol/B2: 4.18804	Sterimol/B3: 4.61928
Sterimol/B4: 8.79403	Sterimol/L: 15.4626

Surface and Volume Properties
Accessible surface: 591.304	Positive charged surface: 380.272	Negative charged surface: 211.032	Volume: 311.625
Hydrophobic surface: 462.019	Hydrophilic surface: 129.285

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

MMs00091649
ASINEX-ZINC00203391