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MMsINC code: MMs01349077

Type: Neutral
Formula: C₁₆H₁₂N₂O₄

SMILES:

Oc1ccc(NC(=O)C(=O)C2c3c(NC2=O)cccc3)cc1

InChI:

InChI=1/C16H12N2O4/c19-10-7-5-9(6-8-10)17-16(22)14(20)13-11-3-1-2-4-12(11)18-15(13)21/h1-8,13,19H,(H,17,22)(H,18,21)/t13-/m1/s1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.2871 kcal/mol

Physical Properties
Molecular Weight: 296.282 g/mol	logS: -3.61123	SlogP: 1.6357	Reactive groups: 0

Topological Properties
Globularity: 0.028641	Sterimol/B1: 2.40167	Sterimol/B2: 2.48582	Sterimol/B3: 3.60624
Sterimol/B4: 6.51671	Sterimol/L: 17.0357

Surface and Volume Properties
Accessible surface: 516.894	Positive charged surface: 286.774	Negative charged surface: 230.12	Volume: 262.875
Hydrophobic surface: 327.771	Hydrophilic surface: 189.123

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs01349078
ENAMINE-ZINC03283009