MMsINC Database Search


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MMsINC code: MMs03753707

Type: Neutral
Formula: C₁₆H₁₄N₂O₄

SMILES:

O1CCOc2c1cc(NC(=O)c1ccccc1C(=O)N)cc2

InChI:

InChI=1/C16H14N2O4/c17-15(19)11-3-1-2-4-12(11)16(20)18-10-5-6-13-14(9-10)22-8-7-21-13/h1-6,9H,7-8H2,(H2,17,19)(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.0254 kcal/mol

Physical Properties
Molecular Weight: 298.298 g/mol	logS: -3.85659	SlogP: 1.809	Reactive groups: 0

Topological Properties
Globularity: 0.0239122	Sterimol/B1: 2.71641	Sterimol/B2: 3.46774	Sterimol/B3: 3.8213
Sterimol/B4: 6.00479	Sterimol/L: 16.1912

Surface and Volume Properties
Accessible surface: 518.667	Positive charged surface: 339.314	Negative charged surface: 179.353	Volume: 269
Hydrophobic surface: 380.026	Hydrophilic surface: 138.641

Pharmacophoric Properties
Hydrogen bond donors: 2	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.