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MMsINC code: MMs02021840

Type: Neutral
Formula: C₁₅H₁₄N₂O₄

SMILES:

OC(=O)c1cc([N+](=O)[O-])c(Nc2ccc(cc2C)C)cc1

InChI:

InChI=1/C15H14N2O4/c1-9-3-5-12(10(2)7-9)16-13-6-4-11(15(18)19)8-14(13)17(20)21/h3-8,16H,1-2H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.71 kcal/mol

Physical Properties
Molecular Weight: 286.287 g/mol	logS: -4.39922	SlogP: 3.65344	Reactive groups: 0

Topological Properties
Globularity: 0.121396	Sterimol/B1: 2.45521	Sterimol/B2: 3.12651	Sterimol/B3: 5.53534
Sterimol/B4: 6.60463	Sterimol/L: 14.9642

Surface and Volume Properties
Accessible surface: 500.992	Positive charged surface: 262.074	Negative charged surface: 238.918	Volume: 261.5
Hydrophobic surface: 333.18	Hydrophilic surface: 167.812

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs02021841
IFLAB-ZINC04139547