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MMsINC code: MMs01576533

Type: Neutral
Formula: C₂₁H₂₂FNO₄

SMILES:

Fc1ccc(cc1)COc1ccccc1C(OCC(=O)N1CCCCC1)=O

InChI:

InChI=1/C21H22FNO4/c22-17-10-8-16(9-11-17)14-26-19-7-3-2-6-18(19)21(25)27-15-20(24)23-12-4-1-5-13-23/h2-3,6-11H,1,4-5,12-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.3226 kcal/mol

Physical Properties
Molecular Weight: 371.408 g/mol	logS: -4.7006	SlogP: 3.8404	Reactive groups: 0

Topological Properties
Globularity: 0.0416172	Sterimol/B1: 2.52274	Sterimol/B2: 3.49996	Sterimol/B3: 3.81892
Sterimol/B4: 11.2697	Sterimol/L: 16.3739

Surface and Volume Properties
Accessible surface: 664.221	Positive charged surface: 421.728	Negative charged surface: 242.494	Volume: 354
Hydrophobic surface: 596.424	Hydrophilic surface: 67.797

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.