MMsINC Database Search


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MMsINC code: MMs01363877

Type: Neutral
Formula: C₂₂H₂₀FNO₄

SMILES:

Fc1ccc(cc1)COc1ccccc1C(=O)Nc1ccc(OC)cc1OC

InChI:

InChI=1/C22H20FNO4/c1-26-17-11-12-19(21(13-17)27-2)24-22(25)18-5-3-4-6-20(18)28-14-15-7-9-16(23)10-8-15/h3-13H,14H2,1-2H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.614 kcal/mol

Physical Properties
Molecular Weight: 381.403 g/mol	logS: -5.56889	SlogP: 4.9406	Reactive groups: 0

Topological Properties
Globularity: 0.060775	Sterimol/B1: 2.51606	Sterimol/B2: 2.73497	Sterimol/B3: 4.78083
Sterimol/B4: 11.0531	Sterimol/L: 14.5362

Surface and Volume Properties
Accessible surface: 666.59	Positive charged surface: 432.584	Negative charged surface: 234.007	Volume: 356.625
Hydrophobic surface: 621.119	Hydrophilic surface: 45.471

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