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MMsINC code: MMs00752817

Type: Ionized
Formula: C₂₀H₁₅N₂O₃-

SMILES:

O=C(Nc1ccccc1C(=O)[O-])c1ccccc1Nc1ccccc1

InChI:

InChI=1/C20H16N2O3/c23-19(22-18-13-7-5-11-16(18)20(24)25)15-10-4-6-12-17(15)21-14-8-2-1-3-9-14/h1-13,21H,(H,22,23)(H,24,25)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.3886 kcal/mol

Physical Properties
Molecular Weight: 331.351 g/mol	logS: -5.20504	SlogP: 3.046	Reactive groups: 0

Topological Properties
Globularity: 0.0668403	Sterimol/B1: 2.92274	Sterimol/B2: 3.07053	Sterimol/B3: 3.98615
Sterimol/B4: 8.21258	Sterimol/L: 15.7046

Surface and Volume Properties
Accessible surface: 575.929	Positive charged surface: 297.214	Negative charged surface: 278.715	Volume: 315.875
Hydrophobic surface: 475.561	Hydrophilic surface: 100.368

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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

search links for this molecule:

Parent related molecule:

MMs00752816
CHEMBRIDGE-ZINC03204922