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MMsINC code: MMs01735925

Type: Neutral
Formula: C₁₀H₈N₂O₄

SMILES:

O=C1N(CC(O)=O)C(=O)Nc2c1cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=6.57428 kcal/mol

Physical Properties
Molecular Weight: 220.184 g/mol	logS: -1.82775	SlogP: 0.7589	Reactive groups: 0

Topological Properties
Globularity: 0.0585821	Sterimol/B1: 2.85407	Sterimol/B2: 2.94594	Sterimol/B3: 3.24174
Sterimol/B4: 5.30175	Sterimol/L: 12.6806

Surface and Volume Properties
Accessible surface: 386.802	Positive charged surface: 214.523	Negative charged surface: 172.28	Volume: 185.5
Hydrophobic surface: 196.434	Hydrophilic surface: 190.368

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

MMs01735926
IBS-ZINC00424180