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MMsINC code: MMs02904351

Type: Neutral
Formula: C₁₀H₇NO₄

SMILES:

OC(=O)c1cc2cc([nH]c2cc1)C(O)=O

InChI:

InChI=1/C10H7NO4/c12-9(13)5-1-2-7-6(3-5)4-8(11-7)10(14)15/h1-4,11H,(H,12,13)(H,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=15.7219 kcal/mol

Physical Properties
Molecular Weight: 205.169 g/mol	logS: -1.7665	SlogP: 1.5643	Reactive groups: 0

Topological Properties
Globularity: 1.1299e-07	Sterimol/B1: 2.097	Sterimol/B2: 2.09791	Sterimol/B3: 3.02538
Sterimol/B4: 4.98183	Sterimol/L: 13.7508

Surface and Volume Properties
Accessible surface: 379.291	Positive charged surface: 195.464	Negative charged surface: 178.016	Volume: 176.125
Hydrophobic surface: 157.667	Hydrophilic surface: 221.624

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 4	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

MMs02904352
PUBCHEM-ZINC02582702