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MMsINC code: MMs02217273

Type: Neutral
Formula: C₁₄H₁₀N₂O₄

SMILES:

OC(=O)c1ccc(\N=C\c2cc([N+](=O)[O-])ccc2)cc1

InChI:

InChI=1/C14H10N2O4/c17-14(18)11-4-6-12(7-5-11)15-9-10-2-1-3-13(8-10)16(19)20/h1-9H,(H,17,18)/b15-9+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.1799 kcal/mol

Physical Properties
Molecular Weight: 270.244 g/mol	logS: -4.06925	SlogP: 3.0436	Reactive groups: 0

Topological Properties
Globularity: 0.0193847	Sterimol/B1: 2.24915	Sterimol/B2: 2.46059	Sterimol/B3: 3.18898
Sterimol/B4: 6.22546	Sterimol/L: 16.8276

Surface and Volume Properties
Accessible surface: 492.061	Positive charged surface: 233.472	Negative charged surface: 258.589	Volume: 239.25
Hydrophobic surface: 296.832	Hydrophilic surface: 195.229

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02217274
NCID-ZINC00498793