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MMsINC code: MMs02851424

Type: Neutral
Formula: C₁₄H₁₁NO₄

SMILES:

O(C(=O)c1ccc(N)cc1)c1ccccc1C(O)=O

InChI:

InChI=1/C14H11NO4/c15-10-7-5-9(6-8-10)14(18)19-12-4-2-1-3-11(12)13(16)17/h1-8H,15H2,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.5038 kcal/mol

Physical Properties
Molecular Weight: 257.245 g/mol	logS: -3.18922	SlogP: 2.1862	Reactive groups: 0

Topological Properties
Globularity: 0.0775859	Sterimol/B1: 3.59455	Sterimol/B2: 3.73512	Sterimol/B3: 3.74745
Sterimol/B4: 5.82728	Sterimol/L: 14.9345

Surface and Volume Properties
Accessible surface: 464.281	Positive charged surface: 271.688	Negative charged surface: 192.593	Volume: 233.125
Hydrophobic surface: 297.558	Hydrophilic surface: 166.723

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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

MMs02851425
PUBCHEM-ZINC02014975