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MMsINC code: MMs03801268

Type: Neutral
Formula: C₁₄H₇NO₆

SMILES:

O1c2c(cccc2C(O)=O)C(=O)c2cc([N+](=O)[O-])ccc12

InChI:

InChI=1/C14H7NO6/c16-12-8-2-1-3-9(14(17)18)13(8)21-11-5-4-7(15(19)20)6-10(11)12/h1-6H,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.366 kcal/mol

Physical Properties
Molecular Weight: 285.211 g/mol	logS: -4.76627	SlogP: 2.6297	Reactive groups: 0

Topological Properties
Globularity: 0.00403017	Sterimol/B1: 2.097	Sterimol/B2: 2.49044	Sterimol/B3: 2.94227
Sterimol/B4: 6.37386	Sterimol/L: 13.8764

Surface and Volume Properties
Accessible surface: 448.815	Positive charged surface: 202.622	Negative charged surface: 246.193	Volume: 230.625
Hydrophobic surface: 240.613	Hydrophilic surface: 208.202

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

MMs03801269
PUBCHEM-ZINC06567274