MMsINC Database Search


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MMsINC code: MMs01524692

Type: Neutral
Formula: C₁₉H₁₆FNO₂

SMILES:

Fc1ccc(cc1)CNC(=O)c1cc2c(cc1OC)cccc2

InChI:

InChI=1/C19H16FNO2/c1-23-18-11-15-5-3-2-4-14(15)10-17(18)19(22)21-12-13-6-8-16(20)9-7-13/h2-11H,12H2,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.9098 kcal/mol

Physical Properties
Molecular Weight: 309.34 g/mol	logS: -5.52215	SlogP: 4.1839	Reactive groups: 0

Topological Properties
Globularity: 0.0472015	Sterimol/B1: 2.56664	Sterimol/B2: 3.61866	Sterimol/B3: 3.62076
Sterimol/B4: 9.42624	Sterimol/L: 15.5756

Surface and Volume Properties
Accessible surface: 568.949	Positive charged surface: 333.635	Negative charged surface: 223.099	Volume: 294.875
Hydrophobic surface: 524.111	Hydrophilic surface: 44.838

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.