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MMsINC code: MMs01222707

Type: Neutral
Formula: C₁₆H₁₄N₂O₅

SMILES:

O(C(=O)c1cc(cc([N+](=O)[O-])c1)C(=O)NCc1ccccc1)C

InChI:

InChI=1/C16H14N2O5/c1-23-16(20)13-7-12(8-14(9-13)18(21)22)15(19)17-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.2666 kcal/mol

Physical Properties
Molecular Weight: 314.297 g/mol	logS: -4.47087	SlogP: 2.5778	Reactive groups: 0

Topological Properties
Globularity: 0.038869	Sterimol/B1: 3.61681	Sterimol/B2: 3.61851	Sterimol/B3: 3.72315
Sterimol/B4: 6.33436	Sterimol/L: 17.9206

Surface and Volume Properties
Accessible surface: 568.752	Positive charged surface: 309.986	Negative charged surface: 258.766	Volume: 283
Hydrophobic surface: 398.677	Hydrophilic surface: 170.075

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.