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MMsINC code: MMs02250361

Type: Neutral
Formula: C₁₄H₁₁NO₅

SMILES:

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

InChI:

InChI=1/C14H11NO5/c1-19-12-6-2-10(3-7-12)14(16)20-13-8-4-11(5-9-13)15(17)18/h2-9H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.1098 kcal/mol

Physical Properties
Molecular Weight: 273.244 g/mol	logS: -4.33955	SlogP: 2.8226	Reactive groups: 0

Topological Properties
Globularity: 0.041195	Sterimol/B1: 2.39615	Sterimol/B2: 3.06813	Sterimol/B3: 3.35346
Sterimol/B4: 4.78576	Sterimol/L: 17.5038

Surface and Volume Properties
Accessible surface: 492.529	Positive charged surface: 256.465	Negative charged surface: 236.063	Volume: 241.375
Hydrophobic surface: 369.344	Hydrophilic surface: 123.185

Pharmacophoric Properties
Hydrogen bond donors: 0	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.