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MMsINC code: MMs02779402

Type: Neutral
Formula: C₂₂H₁₈N₂O₄

SMILES:

OC(=O)c1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(cc2)C)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.111 kcal/mol

Physical Properties
Molecular Weight: 374.396 g/mol	logS: -5.76818	SlogP: 4.19782	Reactive groups: 0

Topological Properties
Globularity: 0.0168719	Sterimol/B1: 2.797	Sterimol/B2: 3.33735	Sterimol/B3: 4.81621
Sterimol/B4: 5.21784	Sterimol/L: 21.3983

Surface and Volume Properties
Accessible surface: 643.279	Positive charged surface: 357.662	Negative charged surface: 285.617	Volume: 350
Hydrophobic surface: 492.461	Hydrophilic surface: 150.818

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	Acid groups: 0	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

MMs02779403
PUBCHEM-ZINC01148617