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MMsINC code: MMs03334107

Type: Neutral
Formula: C₁₅H₁₄N₂O₅

SMILES:

O(NC(Cc1ccccc1)C(O)=O)c1ccc([N+](=O)[O-])cc1

InChI:

InChI=1/C15H14N2O5/c18-15(19)14(10-11-4-2-1-3-5-11)16-22-13-8-6-12(7-9-13)17(20)21/h1-9,14,16H,10H2,(H,18,19)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.6659 kcal/mol

Physical Properties
Molecular Weight: 302.286 g/mol	logS: -3.74799	SlogP: 2.17407	Reactive groups: 0

Topological Properties
Globularity: 0.0454342	Sterimol/B1: 2.39009	Sterimol/B2: 2.4995	Sterimol/B3: 3.49924
Sterimol/B4: 9.1953	Sterimol/L: 14.8816

Surface and Volume Properties
Accessible surface: 516.917	Positive charged surface: 251.584	Negative charged surface: 265.333	Volume: 270.75
Hydrophobic surface: 334.743	Hydrophilic surface: 182.174

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs03334108
PUBCHEM-ZINC05647240