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MMsINC code: MMs00848416

Type: Neutral
Formula: C₁₆H₁₄N₂O₃

SMILES:

O(C)c1ccc(-n2c3c(nc2C)cc(cc3)C(O)=O)cc1

InChI:

InChI=1/C16H14N2O3/c1-10-17-14-9-11(16(19)20)3-8-15(14)18(10)12-4-6-13(21-2)7-5-12/h3-9H,1-2H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.1809 kcal/mol

Physical Properties
Molecular Weight: 282.299 g/mol	logS: -3.53452	SlogP: 3.04072	Reactive groups: 0

Topological Properties
Globularity: 0.0531246	Sterimol/B1: 2.21505	Sterimol/B2: 2.63549	Sterimol/B3: 4.15874
Sterimol/B4: 7.69754	Sterimol/L: 15.9812

Surface and Volume Properties
Accessible surface: 509.956	Positive charged surface: 317.068	Negative charged surface: 192.888	Volume: 267.875
Hydrophobic surface: 378.771	Hydrophilic surface: 131.185

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs00848417
CHEMDIV-ZINC00266835