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MMsINC code: MMs02261148

Type: Neutral
Formula: C₁₃H₁₂N₂O₄

SMILES:

OC(=O)C(NC(=O)C(=O)c1c2c([nH]c1)cccc2)C

InChI:

InChI=1/C13H12N2O4/c1-7(13(18)19)15-12(17)11(16)9-6-14-10-5-3-2-4-8(9)10/h2-7,14H,1H3,(H,15,17)(H,18,19)/t7-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.6948 kcal/mol

Physical Properties
Molecular Weight: 260.249 g/mol	logS: -2.47531	SlogP: 0.9399	Reactive groups: 0

Topological Properties
Globularity: 0.0298996	Sterimol/B1: 2.19181	Sterimol/B2: 3.48408	Sterimol/B3: 3.84949
Sterimol/B4: 4.84462	Sterimol/L: 15.9167

Surface and Volume Properties
Accessible surface: 475.286	Positive charged surface: 259.003	Negative charged surface: 210.6	Volume: 232.375
Hydrophobic surface: 247.472	Hydrophilic surface: 227.814

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs02261149
NCID-ZINC01610319