MMsINC Database Search


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MMsINC code: MMs01321761

Type: Neutral
Formula: C₂₂H₁₈FNO₃

SMILES:

Fc1ccccc1NC(=O)COC(=O)c1ccccc1Cc1ccccc1

InChI:

InChI=1/C22H18FNO3/c23-19-12-6-7-13-20(19)24-21(25)15-27-22(26)18-11-5-4-10-17(18)14-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.387 kcal/mol

Physical Properties
Molecular Weight: 363.388 g/mol	logS: -6.1744	SlogP: 4.21197	Reactive groups: 0

Topological Properties
Globularity: 0.0280761	Sterimol/B1: 3.04119	Sterimol/B2: 3.60463	Sterimol/B3: 3.70568
Sterimol/B4: 6.85427	Sterimol/L: 20.7059

Surface and Volume Properties
Accessible surface: 639.293	Positive charged surface: 362.781	Negative charged surface: 276.512	Volume: 342.25
Hydrophobic surface: 569.769	Hydrophilic surface: 69.524

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.