MMsINC Database Search


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MMsINC code: MMs01823717

Type: Neutral
Formula: C₂₃H₂₂FNO₄

SMILES:

Fc1ccc(cc1)C(=O)NC(c1cc(OC)c(OC)cc1)c1ccc(OC)cc1

InChI:

InChI=1/C23H22FNO4/c1-27-19-11-6-15(7-12-19)22(17-8-13-20(28-2)21(14-17)29-3)25-23(26)16-4-9-18(24)10-5-16/h4-14,22H,1-3H3,(H,25,26)/t22-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.029 kcal/mol

Physical Properties
Molecular Weight: 395.43 g/mol	logS: -5.51293	SlogP: 4.4664	Reactive groups: 0

Topological Properties
Globularity: 0.305336	Sterimol/B1: 2.3578	Sterimol/B2: 4.02092	Sterimol/B3: 5.44984
Sterimol/B4: 12.12	Sterimol/L: 14.1209

Surface and Volume Properties
Accessible surface: 682.466	Positive charged surface: 450.547	Negative charged surface: 231.919	Volume: 374.25
Hydrophobic surface: 623.216	Hydrophilic surface: 59.25

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.