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MMsINC code: MMs00836944

Type: Neutral
Formula: C₁₄H₁₁NO₄

SMILES:

Oc1ccccc1NC(=O)c1ccccc1C(O)=O

InChI:

InChI=1/C14H11NO4/c16-12-8-4-3-7-11(12)15-13(17)9-5-1-2-6-10(9)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)=80.9632 kcal/mol

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

Topological Properties
Globularity: 0.107157	Sterimol/B1: 2.47635	Sterimol/B2: 3.18852	Sterimol/B3: 4.45078
Sterimol/B4: 7.05803	Sterimol/L: 14.1386

Surface and Volume Properties
Accessible surface: 464.457	Positive charged surface: 266.066	Negative charged surface: 198.39	Volume: 231.625
Hydrophobic surface: 309.85	Hydrophilic surface: 154.607

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

MMs00836945
CHEMDIV-ZINC00187876