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MMsINC code: MMs03406792

Type: Neutral
Formula: C₁₂H₁₀N₂O₅

SMILES:

O=C1N(CC(O)=O)C(=O)c2c1c(NC(=O)C)ccc2

InChI:

InChI=1/C12H10N2O5/c1-6(15)13-8-4-2-3-7-10(8)12(19)14(11(7)18)5-9(16)17/h2-4H,5H2,1H3,(H,13,15)(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.0037 kcal/mol

Physical Properties
Molecular Weight: 262.221 g/mol	logS: -2.14002	SlogP: 0.3256	Reactive groups: 0

Topological Properties
Globularity: 0.0571004	Sterimol/B1: 2.17454	Sterimol/B2: 3.01134	Sterimol/B3: 3.22757
Sterimol/B4: 7.51137	Sterimol/L: 13.4398

Surface and Volume Properties
Accessible surface: 452.823	Positive charged surface: 257.744	Negative charged surface: 195.078	Volume: 221.5
Hydrophobic surface: 236.58	Hydrophilic surface: 216.243

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	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

MMs03406793
PUBCHEM-ZINC05833600