MMsINC Database Search


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MMsINC code: MMs01456214

Type: Neutral
Formula: C₁₉H₂₂FNO₃

SMILES:

Fc1ccccc1C(=O)NC(C)c1cc(OCC)c(OCC)cc1

InChI:

InChI=1/C19H22FNO3/c1-4-23-17-11-10-14(12-18(17)24-5-2)13(3)21-19(22)15-8-6-7-9-16(15)20/h6-13H,4-5H2,1-3H3,(H,21,22)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.0955 kcal/mol

Physical Properties
Molecular Weight: 331.387 g/mol	logS: -4.67628	SlogP: 4.2096	Reactive groups: 0

Topological Properties
Globularity: 0.0775888	Sterimol/B1: 2.56059	Sterimol/B2: 3.43776	Sterimol/B3: 4.71805
Sterimol/B4: 9.25143	Sterimol/L: 16.6003

Surface and Volume Properties
Accessible surface: 629.952	Positive charged surface: 400.305	Negative charged surface: 229.647	Volume: 324.875
Hydrophobic surface: 520.967	Hydrophilic surface: 108.985

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.