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MMsINC code: MMs00663851

Type: Ionized
Formula: C₂₂H₁₇N₂O₄-

SMILES:

O=C(Nc1ccc(cc1)C(=O)[O-])c1ccccc1NC(=O)c1cc(ccc1)C

InChI:

InChI=1/C22H18N2O4/c1-14-5-4-6-16(13-14)20(25)24-19-8-3-2-7-18(19)21(26)23-17-11-9-15(10-12-17)22(27)28/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)=81.6828 kcal/mol

Physical Properties
Molecular Weight: 373.388 g/mol	logS: -6.02863	SlogP: 2.86312	Reactive groups: 0

Topological Properties
Globularity: 0.0286079	Sterimol/B1: 2.67612	Sterimol/B2: 3.07705	Sterimol/B3: 4.07407
Sterimol/B4: 9.63304	Sterimol/L: 17.2727

Surface and Volume Properties
Accessible surface: 640.973	Positive charged surface: 326.814	Negative charged surface: 314.16	Volume: 354.75
Hydrophobic surface: 491.375	Hydrophilic surface: 149.598

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

search links for this molecule:

Parent related molecule:

MMs00663850
CHEMBRIDGE-ZINC01118138