MMsINC Database Search


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MMsINC code: MMs01323529

Type: Neutral
Formula: C₁₉H₂₀FNO₆

SMILES:

Fc1ccccc1NC(=O)COC(=O)Cc1cc(OC)c(OC)c(OC)c1

InChI:

InChI=1/C19H20FNO6/c1-24-15-8-12(9-16(25-2)19(15)26-3)10-18(23)27-11-17(22)21-14-7-5-4-6-13(14)20/h4-9H,10-11H2,1-3H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.69 kcal/mol

Physical Properties
Molecular Weight: 377.368 g/mol	logS: -4.27063	SlogP: 2.57587	Reactive groups: 1

Topological Properties
Globularity: 0.0348051	Sterimol/B1: 2.31115	Sterimol/B2: 3.26112	Sterimol/B3: 4.04006
Sterimol/B4: 9.50945	Sterimol/L: 20.7959

Surface and Volume Properties
Accessible surface: 672.797	Positive charged surface: 494.48	Negative charged surface: 178.317	Volume: 342.875
Hydrophobic surface: 571.337	Hydrophilic surface: 101.46

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	Acid groups: 0	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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Ions/Tautomers related molecules: no related molecules available.