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MMsINC code: MMs02219250

Type: Neutral
Formula: C₁₄H₁₁NO₄

SMILES:

Oc1ccccc1C(=O)Nc1ccc(cc1)C(O)=O

InChI:

InChI=1/C14H11NO4/c16-12-4-2-1-3-11(12)13(17)15-10-7-5-9(6-8-10)14(18)19/h1-8,16H,(H,15,17)(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.5199 kcal/mol

Physical Properties
Molecular Weight: 257.245 g/mol	logS: -2.96232	SlogP: 2.3427	Reactive groups: 0

Topological Properties
Globularity: 0.011657	Sterimol/B1: 2.36606	Sterimol/B2: 2.47415	Sterimol/B3: 2.72904
Sterimol/B4: 5.6944	Sterimol/L: 16.2155

Surface and Volume Properties
Accessible surface: 470.526	Positive charged surface: 261.047	Negative charged surface: 209.479	Volume: 231.875
Hydrophobic surface: 299.549	Hydrophilic surface: 170.977

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs02219251
NCID-ZINC01555589