MMsINC Database Search


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MMsINC code: MMs01320777

Type: Neutral
Formula: C₂₂H₁₈FNO₃

SMILES:

Fc1ccc(cc1)C(OCC(=O)NC(c1ccccc1)c1ccccc1)=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.0246 kcal/mol

Physical Properties
Molecular Weight: 363.388 g/mol	logS: -5.76996	SlogP: 3.9838	Reactive groups: 0

Topological Properties
Globularity: 0.0879537	Sterimol/B1: 2.12133	Sterimol/B2: 3.70311	Sterimol/B3: 4.74678
Sterimol/B4: 8.83272	Sterimol/L: 18.1901

Surface and Volume Properties
Accessible surface: 647.243	Positive charged surface: 335.518	Negative charged surface: 311.725	Volume: 346.875
Hydrophobic surface: 572.696	Hydrophilic surface: 74.547

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.