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MMsINC code: MMs00777553

Type: Ionized
Formula: C₁₇H₉NO₆-2

SMILES:

O=C1N(Cc2ccc(cc2)C(=O)[O-])C(=O)c2c1cc(cc2)C(=O)[O-]

InChI:

InChI=1/C17H11NO6/c19-14-12-6-5-11(17(23)24)7-13(12)15(20)18(14)8-9-1-3-10(4-2-9)16(21)22/h1-7H,8H2,(H,21,22)(H,23,24)/p-2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.6205 kcal/mol

Physical Properties
Molecular Weight: 323.26 g/mol	logS: -4.16233	SlogP: -0.5238	Reactive groups: 0

Topological Properties
Globularity: 0.131517	Sterimol/B1: 3.31646	Sterimol/B2: 3.42259	Sterimol/B3: 5.18571
Sterimol/B4: 5.47148	Sterimol/L: 15.8098

Surface and Volume Properties
Accessible surface: 516.62	Positive charged surface: 218.995	Negative charged surface: 297.625	Volume: 275.25
Hydrophobic surface: 257.917	Hydrophilic surface: 258.703

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 4	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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Parent related molecule:

MMs00777552
CHEMBRIDGE-ZINC04695673