MMsINC Database Search


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MMsINC code: MMs01247449

Type: Neutral
Formula: C₁₉H₂₀FNO₃

SMILES:

Fc1ccc(NC(=O)COC(=O)c2ccc(cc2)C(C)(C)C)cc1

InChI:

InChI=1/C19H20FNO3/c1-19(2,3)14-6-4-13(5-7-14)18(23)24-12-17(22)21-16-10-8-15(20)9-11-16/h4-11H,12H2,1-3H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.1211 kcal/mol

Physical Properties
Molecular Weight: 329.371 g/mol	logS: -6.0776	SlogP: 3.9187	Reactive groups: 0

Topological Properties
Globularity: 0.0243593	Sterimol/B1: 2.36678	Sterimol/B2: 4.24373	Sterimol/B3: 4.87293
Sterimol/B4: 5.02328	Sterimol/L: 18.8823

Surface and Volume Properties
Accessible surface: 608.17	Positive charged surface: 354.829	Negative charged surface: 253.341	Volume: 318.5
Hydrophobic surface: 470.618	Hydrophilic surface: 137.552

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.