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MMsINC code: MMs02627007

Type: Neutral
Formula: C₁₅H₁₃NO₄

SMILES:

O(Cc1ccccc1)c1ccc(nc1)CC(=O)C(O)=O

InChI:

InChI=1/C15H13NO4/c17-14(15(18)19)8-12-6-7-13(9-16-12)20-10-11-4-2-1-3-5-11/h1-7,9H,8,10H2,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.9189 kcal/mol

Physical Properties
Molecular Weight: 271.272 g/mol	logS: -2.46016	SlogP: 2.12317	Reactive groups: 0

Topological Properties
Globularity: 0.0429168	Sterimol/B1: 3.04963	Sterimol/B2: 3.4	Sterimol/B3: 3.5847
Sterimol/B4: 3.95868	Sterimol/L: 17.7845

Surface and Volume Properties
Accessible surface: 520.217	Positive charged surface: 302.394	Negative charged surface: 217.823	Volume: 251.875
Hydrophobic surface: 365.488	Hydrophilic surface: 154.729

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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

MMs02627008
PUBCHEM-ZINC00026860