MMsINC Database Search


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MMsINC code: MMs00004290

Type: Neutral
Formula: C₁₀H₁₀N₂O₄

SMILES:

O(C)c1cc2c(NC(=O)NC2=O)cc1OC

InChI:

InChI=1/C10H10N2O4/c1-15-7-3-5-6(4-8(7)16-2)11-10(14)12-9(5)13/h3-4H,1-2H3,(H2,11,12,13,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=27.574 kcal/mol

Physical Properties
Molecular Weight: 222.2 g/mol	logS: -2.03866	SlogP: 0.9791	Reactive groups: 0

Topological Properties
Globularity: 0.0206076	Sterimol/B1: 1.969	Sterimol/B2: 2.37367	Sterimol/B3: 2.38001
Sterimol/B4: 7.57155	Sterimol/L: 11.2117

Surface and Volume Properties
Accessible surface: 401.585	Positive charged surface: 290.956	Negative charged surface: 110.629	Volume: 190.875
Hydrophobic surface: 234.776	Hydrophilic surface: 166.809

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.