MMsINC Database Search


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MMsINC code: MMs01415940

Type: Neutral
Formula: C₁₉H₂₀FNO₃

SMILES:

Fc1ccccc1C(OCC(=O)Nc1ccccc1C(CC)C)=O

InChI:

InChI=1/C19H20FNO3/c1-3-13(2)14-8-5-7-11-17(14)21-18(22)12-24-19(23)15-9-4-6-10-16(15)20/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)=90.9584 kcal/mol

Physical Properties
Molecular Weight: 329.371 g/mol	logS: -5.76415	SlogP: 4.1347	Reactive groups: 0

Topological Properties
Globularity: 0.0381839	Sterimol/B1: 2.01921	Sterimol/B2: 2.42903	Sterimol/B3: 4.92862
Sterimol/B4: 8.56867	Sterimol/L: 17.1043

Surface and Volume Properties
Accessible surface: 608.093	Positive charged surface: 359.473	Negative charged surface: 248.62	Volume: 316.125
Hydrophobic surface: 495.723	Hydrophilic surface: 112.37

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.