MMsINC Database Search


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MMsINC code: MMs01421245

Type: Neutral
Formula: C₁₉H₂₀FNO₄

SMILES:

Fc1ccc(cc1)C(NC(=O)COC(=O)c1ccc(OCC)cc1)C

InChI:

InChI=1/C19H20FNO4/c1-3-24-17-10-6-15(7-11-17)19(23)25-12-18(22)21-13(2)14-4-8-16(20)9-5-14/h4-11,13H,3,12H2,1-2H3,(H,21,22)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.3933 kcal/mol

Physical Properties
Molecular Weight: 345.37 g/mol	logS: -4.70686	SlogP: 3.3541	Reactive groups: 0

Topological Properties
Globularity: 0.0271808	Sterimol/B1: 2.5537	Sterimol/B2: 3.22647	Sterimol/B3: 4.23423
Sterimol/B4: 6.23224	Sterimol/L: 21.203

Surface and Volume Properties
Accessible surface: 640.177	Positive charged surface: 378.059	Negative charged surface: 262.118	Volume: 327.375
Hydrophobic surface: 514.646	Hydrophilic surface: 125.531

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.