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MMsINC code: MMs02249261

Type: Neutral
Formula: C₁₄H₁₀N₂O₇

SMILES:

O(c1c(cccc1C)C(O)=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

InChI:

InChI=1/C14H10N2O7/c1-8-3-2-4-10(14(17)18)13(8)23-12-6-5-9(15(19)20)7-11(12)16(21)22/h2-7H,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.286 kcal/mol

Physical Properties
Molecular Weight: 318.241 g/mol	logS: -4.87792	SlogP: 3.30192	Reactive groups: 0

Topological Properties
Globularity: 0.26927	Sterimol/B1: 2.25853	Sterimol/B2: 4.49073	Sterimol/B3: 5.36001
Sterimol/B4: 8.27572	Sterimol/L: 13.6396

Surface and Volume Properties
Accessible surface: 491.691	Positive charged surface: 207.142	Negative charged surface: 284.549	Volume: 255.875
Hydrophobic surface: 260.213	Hydrophilic surface: 231.478

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02249262
NCID-ZINC01594901