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MMsINC code: MMs00735836

Type: Neutral
Formula: C₁₆H₁₄N₂O₄

SMILES:

OC(=O)c1ccc(NC(=O)\C=C(/O)\c2ccc(N)cc2)cc1

InChI:

InChI=1/C16H14N2O4/c17-12-5-1-10(2-6-12)14(19)9-15(20)18-13-7-3-11(4-8-13)16(21)22/h1-9,19H,17H2,(H,18,20)(H,21,22)/b14-9-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.5724 kcal/mol

Physical Properties
Molecular Weight: 298.298 g/mol	logS: -3.22505	SlogP: 2.5046	Reactive groups: 0

Topological Properties
Globularity: 0.00631712	Sterimol/B1: 2.16788	Sterimol/B2: 2.5026	Sterimol/B3: 2.85608
Sterimol/B4: 5.36039	Sterimol/L: 19.298

Surface and Volume Properties
Accessible surface: 533.85	Positive charged surface: 308.889	Negative charged surface: 224.961	Volume: 270.75
Hydrophobic surface: 309.951	Hydrophilic surface: 223.899

Pharmacophoric Properties
Hydrogen bond donors: 5	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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