MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01245998

Type: Neutral
Formula: C₁₉H₂₀FNO₃

SMILES:

Fc1ccccc1NC(=O)COC(=O)c1ccc(cc1)C(C)(C)C

InChI:

InChI=1/C19H20FNO3/c1-19(2,3)14-10-8-13(9-11-14)18(23)24-12-17(22)21-16-7-5-4-6-15(16)20/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)=102.433 kcal/mol

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

Topological Properties
Globularity: 0.0244488	Sterimol/B1: 2.36318	Sterimol/B2: 4.28967	Sterimol/B3: 4.87505
Sterimol/B4: 5.00718	Sterimol/L: 18.8946

Surface and Volume Properties
Accessible surface: 606.537	Positive charged surface: 354.678	Negative charged surface: 251.859	Volume: 318.5
Hydrophobic surface: 470.124	Hydrophilic surface: 136.413

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.