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MMsINC code: MMs01570896

Type: Neutral
Formula: C₁₇H₁₃N₃O₅

SMILES:

O=C1c2cc([N+](=O)[O-])ccc2N(CC(=O)Nc2ccc(cc2)C)C1=O

InChI:

InChI=1/C17H13N3O5/c1-10-2-4-11(5-3-10)18-15(21)9-19-14-7-6-12(20(24)25)8-13(14)16(22)17(19)23/h2-8H,9H2,1H3,(H,18,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.71 kcal/mol

Physical Properties
Molecular Weight: 339.307 g/mol	logS: -5.19531	SlogP: 2.07122	Reactive groups: 0

Topological Properties
Globularity: 0.103147	Sterimol/B1: 2.54526	Sterimol/B2: 4.18396	Sterimol/B3: 5.23911
Sterimol/B4: 6.28478	Sterimol/L: 17.1199

Surface and Volume Properties
Accessible surface: 563.766	Positive charged surface: 270.949	Negative charged surface: 292.817	Volume: 293.25
Hydrophobic surface: 350.723	Hydrophilic surface: 213.043

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.