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MMsINC code: MMs00663850

Type: Neutral
Formula: C₂₂H₁₈N₂O₄

SMILES:

OC(=O)c1ccc(NC(=O)c2ccccc2NC(=O)c2cc(ccc2)C)cc1

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)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.344 kcal/mol

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

Topological Properties
Globularity: 0.0233946	Sterimol/B1: 2.4855	Sterimol/B2: 3.59455	Sterimol/B3: 3.77134
Sterimol/B4: 9.60981	Sterimol/L: 17.7733

Surface and Volume Properties
Accessible surface: 640.788	Positive charged surface: 351.269	Negative charged surface: 289.519	Volume: 349.625
Hydrophobic surface: 490.524	Hydrophilic surface: 150.264

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

MMs00663851
CHEMBRIDGE-ZINC01118138