MMsINC Database Search


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MMsINC code: MMs01415933

Type: Neutral
Formula: C₁₉H₂₀FNO₃

SMILES:

Fc1ccccc1C(OCC(=O)Nc1c(cccc1C)C(C)C)=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.8633 kcal/mol

Physical Properties
Molecular Weight: 329.371 g/mol	logS: -5.4094	SlogP: 4.05302	Reactive groups: 0

Topological Properties
Globularity: 0.0934767	Sterimol/B1: 2.4299	Sterimol/B2: 3.08114	Sterimol/B3: 5.10664
Sterimol/B4: 7.88168	Sterimol/L: 16.5289

Surface and Volume Properties
Accessible surface: 592.836	Positive charged surface: 345.657	Negative charged surface: 247.179	Volume: 318
Hydrophobic surface: 486.501	Hydrophilic surface: 106.335

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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.