MMsINC Database Search


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MMsINC code: MMs00455935

Type: Neutral
Formula: C₂₀H₂₀FNO₄

SMILES:

Fc1ccccc1C(=O)COC(=O)C(NC(=O)c1ccccc1)C(C)C

InChI:

InChI=1/C20H20FNO4/c1-13(2)18(22-19(24)14-8-4-3-5-9-14)20(25)26-12-17(23)15-10-6-7-11-16(15)21/h3-11,13,18H,12H2,1-2H3,(H,22,24)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.8652 kcal/mol

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

Topological Properties
Globularity: 0.0416073	Sterimol/B1: 2.18114	Sterimol/B2: 3.75352	Sterimol/B3: 5.18578
Sterimol/B4: 6.31464	Sterimol/L: 19.3847

Surface and Volume Properties
Accessible surface: 621.419	Positive charged surface: 340.663	Negative charged surface: 280.756	Volume: 336.125
Hydrophobic surface: 496.676	Hydrophilic surface: 124.743

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

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Ions/Tautomers related molecules: no related molecules available.