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MMsINC code: MMs02141997

Type: Ionized
Formula: C₂₀H₁₅N₂O₄-

SMILES:

O(c1ncccc1C(=O)Nc1cccc(C)c1C(=O)[O-])c1ccccc1

InChI:

InChI=1/C20H16N2O4/c1-13-7-5-11-16(17(13)20(24)25)22-18(23)15-10-6-12-21-19(15)26-14-8-3-2-4-9-14/h2-12H,1H3,(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)=72.7138 kcal/mol

Physical Properties
Molecular Weight: 347.35 g/mol	logS: -4.89447	SlogP: 2.79812	Reactive groups: 0

Topological Properties
Globularity: 0.0779828	Sterimol/B1: 3.31122	Sterimol/B2: 4.53556	Sterimol/B3: 4.66885
Sterimol/B4: 6.15786	Sterimol/L: 17.0937

Surface and Volume Properties
Accessible surface: 589.14	Positive charged surface: 335.51	Negative charged surface: 253.63	Volume: 325.875
Hydrophobic surface: 488.269	Hydrophilic surface: 100.871

Pharmacophoric Properties
Hydrogen bond donors: 1	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

search links for this molecule:

Parent related molecule:

MMs02141996
MAYBRIDGE-ZINC00152168