MMsINC Database Search


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MMsINC code: MMs00459034

Type: Neutral
Formula: C₁₀H₈N₂O₄

SMILES:

OC1(c2ccccc2)C(=O)NC(=O)NC1=O

InChI:

InChI=1/C10H8N2O4/c13-7-10(16,6-4-2-1-3-5-6)8(14)12-9(15)11-7/h1-5,16H,(H2,11,12,13,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.1739 kcal/mol

Physical Properties
Molecular Weight: 220.184 g/mol	logS: -2.09315	SlogP: -0.4483	Reactive groups: 0

Topological Properties
Globularity: 0.172877	Sterimol/B1: 3.02035	Sterimol/B2: 3.46202	Sterimol/B3: 4.26518
Sterimol/B4: 4.38455	Sterimol/L: 11.5573

Surface and Volume Properties
Accessible surface: 382.039	Positive charged surface: 190.628	Negative charged surface: 191.411	Volume: 182.25
Hydrophobic surface: 169.153	Hydrophilic surface: 212.886

Pharmacophoric Properties
Hydrogen bond donors: 3	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.