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MMsINC code: MMs03801797

Type: Neutral
Formula: C₁₄H₁₁NO₄

SMILES:

Oc1ccccc1C(=O)Nc1ccccc1C(O)=O

InChI:

InChI=1/C14H11NO4/c16-12-8-4-2-6-10(12)13(17)15-11-7-3-1-5-9(11)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)=78.0114 kcal/mol

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

Topological Properties
Globularity: 0.0229328	Sterimol/B1: 2.39863	Sterimol/B2: 3.05568	Sterimol/B3: 3.39844
Sterimol/B4: 6.31405	Sterimol/L: 13.9881

Surface and Volume Properties
Accessible surface: 456.221	Positive charged surface: 260.027	Negative charged surface: 196.194	Volume: 231.125
Hydrophobic surface: 306.004	Hydrophilic surface: 150.217

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

MMs03801798
PUBCHEM-ZINC06567831