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MMsINC code: MMs03369585

Type: Neutral
Formula: C₂₃H₂₀N₂O₄

SMILES:

OC(=O)c1cc(NC(=O)c2ccccc2C)c(NC(=O)c2ccccc2C)cc1

InChI:

InChI=1/C23H20N2O4/c1-14-7-3-5-9-17(14)21(26)24-19-12-11-16(23(28)29)13-20(19)25-22(27)18-10-6-4-8-15(18)2/h3-13H,1-2H3,(H,24,26)(H,25,27)(H,28,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=139.788 kcal/mol

Physical Properties
Molecular Weight: 388.423 g/mol	logS: -6.2421	SlogP: 4.50624	Reactive groups: 0

Topological Properties
Globularity: 0.0373292	Sterimol/B1: 2.44462	Sterimol/B2: 4.23817	Sterimol/B3: 6.68076
Sterimol/B4: 7.82797	Sterimol/L: 16.1412

Surface and Volume Properties
Accessible surface: 652.836	Positive charged surface: 369.667	Negative charged surface: 283.169	Volume: 365.375
Hydrophobic surface: 516.924	Hydrophilic surface: 135.912

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

MMs03369586
PUBCHEM-ZINC05748371