MMsINC Database Search


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

MMsINC code: MMs01457922

Type: Neutral
Formula: C₂₀H₂₀FNO₄

SMILES:

Fc1ccc(cc1)C(=O)COC(=O)C(NC(=O)c1ccccc1)C(C)C

InChI:

InChI=1/C20H20FNO4/c1-13(2)18(22-19(24)15-6-4-3-5-7-15)20(25)26-12-17(23)14-8-10-16(21)11-9-14/h3-11,13,18H,12H2,1-2H3,(H,22,24)/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.3964 kcal/mol

Physical Properties
Molecular Weight: 357.381 g/mol	logS: -5.06416	SlogP: 3.0062	Reactive groups: 0

Topological Properties
Globularity: 0.0415314	Sterimol/B1: 2.33175	Sterimol/B2: 3.47738	Sterimol/B3: 3.88555
Sterimol/B4: 7.65232	Sterimol/L: 19.6408

Surface and Volume Properties
Accessible surface: 621.683	Positive charged surface: 330.854	Negative charged surface: 290.829	Volume: 335.125
Hydrophobic surface: 497.188	Hydrophilic surface: 124.495

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.