MMsINC Database Search


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MMsINC code: MMs00757887

Type: Neutral
Formula: C₁₅H₁₄N₂O₄

SMILES:

O(CC(=O)Nc1ccccc1C)c1ccc([N+](=O)[O-])cc1

InChI:

InChI=1/C15H14N2O4/c1-11-4-2-3-5-14(11)16-15(18)10-21-13-8-6-12(7-9-13)17(19)20/h2-9H,10H2,1H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.843 kcal/mol

Physical Properties
Molecular Weight: 286.287 g/mol	logS: -4.38239	SlogP: 2.92072	Reactive groups: 0

Topological Properties
Globularity: 0.0111707	Sterimol/B1: 2.02897	Sterimol/B2: 2.17237	Sterimol/B3: 2.95148
Sterimol/B4: 6.7048	Sterimol/L: 17.8351

Surface and Volume Properties
Accessible surface: 523.061	Positive charged surface: 266.622	Negative charged surface: 256.439	Volume: 262.75
Hydrophobic surface: 397.438	Hydrophilic surface: 125.623

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.