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MMsINC code: MMs01533908

Type: Neutral
Formula: C₁₃H₁₄N₂O₄

SMILES:

O1CCCOc2c1cc(cc2)C1(NC(=O)NC1=O)C

InChI:

InChI=1/C13H14N2O4/c1-13(11(16)14-12(17)15-13)8-3-4-9-10(7-8)19-6-2-5-18-9/h3-4,7H,2,5-6H2,1H3,(H2,14,15,16,17)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.1568 kcal/mol

Physical Properties
Molecular Weight: 262.265 g/mol	logS: -2.68696	SlogP: 1.214	Reactive groups: 0

Topological Properties
Globularity: 0.129593	Sterimol/B1: 2.25819	Sterimol/B2: 4.25845	Sterimol/B3: 4.45944
Sterimol/B4: 5.40291	Sterimol/L: 12.1113

Surface and Volume Properties
Accessible surface: 448.541	Positive charged surface: 297.805	Negative charged surface: 150.736	Volume: 232
Hydrophobic surface: 273.198	Hydrophilic surface: 175.343

Pharmacophoric Properties
Hydrogen bond donors: 2	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: no related molecules available.