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MMsINC code: MMs02789496

Type: Ionized
Formula: C₂₂H₁₇N₂O₄-

SMILES:

O=C(Nc1cccc(C(=O)[O-])c1C)c1ccccc1NC(=O)c1ccccc1

InChI:

InChI=1/C22H18N2O4/c1-14-16(22(27)28)11-7-13-18(14)23-21(26)17-10-5-6-12-19(17)24-20(25)15-8-3-2-4-9-15/h2-13H,1H3,(H,23,26)(H,24,25)(H,27,28)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.7912 kcal/mol

Physical Properties
Molecular Weight: 373.388 g/mol	logS: -5.71518	SlogP: 2.86312	Reactive groups: 0

Topological Properties
Globularity: 0.0767145	Sterimol/B1: 2.29947	Sterimol/B2: 4.60267	Sterimol/B3: 6.29786
Sterimol/B4: 6.49438	Sterimol/L: 16.1576

Surface and Volume Properties
Accessible surface: 634.991	Positive charged surface: 320.575	Negative charged surface: 314.416	Volume: 353.125
Hydrophobic surface: 506.355	Hydrophilic surface: 128.636

Pharmacophoric Properties
Hydrogen bond donors: 2	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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Parent related molecule:

MMs02789495
PUBCHEM-ZINC01217192