MMsINC Database Search


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MMsINC code: MMs01224303

Type: Neutral
Formula: C₁₉H₁₄N₂O₄

SMILES:

O(c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2)cc1)c1ccccc1

InChI:

InChI=1/C19H14N2O4/c22-19(14-5-4-6-16(13-14)21(23)24)20-15-9-11-18(12-10-15)25-17-7-2-1-3-8-17/h1-13H,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.605 kcal/mol

Physical Properties
Molecular Weight: 334.331 g/mol	logS: -5.92781	SlogP: 4.6394	Reactive groups: 0

Topological Properties
Globularity: 0.0536439	Sterimol/B1: 2.62887	Sterimol/B2: 3.61854	Sterimol/B3: 5.28392
Sterimol/B4: 5.36372	Sterimol/L: 19.0483

Surface and Volume Properties
Accessible surface: 580.798	Positive charged surface: 275.298	Negative charged surface: 305.501	Volume: 304.625
Hydrophobic surface: 459.945	Hydrophilic surface: 120.853

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