MMsINC Database Search


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MMsINC code: MMs00539164

Type: Neutral
Formula: C₁₉H₂₀FNO₃

SMILES:

Fc1cc(ccc1)C(=O)NC(CC(OCC)=O)c1ccc(cc1)C

InChI:

InChI=1/C19H20FNO3/c1-3-24-18(22)12-17(14-9-7-13(2)8-10-14)21-19(23)15-5-4-6-16(20)11-15/h4-11,17H,3,12H2,1-2H3,(H,21,23)/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.4755 kcal/mol

Physical Properties
Molecular Weight: 329.371 g/mol	logS: -4.68511	SlogP: 3.65392	Reactive groups: 1

Topological Properties
Globularity: 0.0803385	Sterimol/B1: 2.39518	Sterimol/B2: 2.469	Sterimol/B3: 4.69853
Sterimol/B4: 10.7798	Sterimol/L: 16.0567

Surface and Volume Properties
Accessible surface: 608.828	Positive charged surface: 357.29	Negative charged surface: 251.538	Volume: 318.25
Hydrophobic surface: 530.132	Hydrophilic surface: 78.696

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.