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MMsINC code: MMs00580716

Type: Neutral
Formula: C₂₂H₁₈N₂O₄

SMILES:

OC(=O)c1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2C)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.336 kcal/mol

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

Topological Properties
Globularity: 0.0370789	Sterimol/B1: 2.18891	Sterimol/B2: 4.34491	Sterimol/B3: 5.68739
Sterimol/B4: 7.7602	Sterimol/L: 16.9161

Surface and Volume Properties
Accessible surface: 634.88	Positive charged surface: 354.381	Negative charged surface: 280.499	Volume: 349.625
Hydrophobic surface: 494.025	Hydrophilic surface: 140.855

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

MMs00580717
CHEMBLOCK-ZINC04917670