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MMsINC code: MMs01529015

Type: Neutral
Formula: C₁₇H₁₃N₂O₃-

SMILES:

O(C)c1ccccc1-c1nn(cc1C(=O)[O-])-c1ccccc1

InChI:

InChI=1/C17H14N2O3/c1-22-15-10-6-5-9-13(15)16-14(17(20)21)11-19(18-16)12-7-3-2-4-8-12/h2-11H,1H3,(H,20,21)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.7484 kcal/mol

Physical Properties
Molecular Weight: 293.302 g/mol	logS: -4.2142	SlogP: 1.9114	Reactive groups: 0

Topological Properties
Globularity: 0.0849718	Sterimol/B1: 2.22705	Sterimol/B2: 3.49977	Sterimol/B3: 5.04543
Sterimol/B4: 6.66369	Sterimol/L: 14.77

Surface and Volume Properties
Accessible surface: 517.102	Positive charged surface: 271.173	Negative charged surface: 245.93	Volume: 275.875
Hydrophobic surface: 413.618	Hydrophilic surface: 103.484

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 2	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

MMs01529016
ENAMINE-ZINC03887872