MMsINC Database Search


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MMsINC code: MMs01578642

Type: Neutral
Formula: C₁₉H₂₀FNO₄

SMILES:

Fc1ccc(cc1)C(NC(=O)COc1ccc(cc1)C(OCC)=O)C

InChI:

InChI=1/C19H20FNO4/c1-3-24-19(23)15-6-10-17(11-7-15)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)=74.3852 kcal/mol

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

Topological Properties
Globularity: 0.0257175	Sterimol/B1: 2.56746	Sterimol/B2: 3.5708	Sterimol/B3: 3.65913
Sterimol/B4: 7.40012	Sterimol/L: 20.0521

Surface and Volume Properties
Accessible surface: 640.128	Positive charged surface: 377.771	Negative charged surface: 262.357	Volume: 329
Hydrophobic surface: 515.043	Hydrophilic surface: 125.085

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.