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MMsINC code: MMs00867222

Type: Neutral
Formula: C₂₂H₁₈N₂O₄

SMILES:

OC(=O)c1ccccc1C(=O)Nc1cc(ccc1)C(=O)Nc1ccc(cc1)C

InChI:

InChI=1/C22H18N2O4/c1-14-9-11-16(12-10-14)23-20(25)15-5-4-6-17(13-15)24-21(26)18-7-2-3-8-19(18)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)=120.447 kcal/mol

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

Topological Properties
Globularity: 0.0145476	Sterimol/B1: 2.63194	Sterimol/B2: 2.83531	Sterimol/B3: 3.60173
Sterimol/B4: 8.4038	Sterimol/L: 19.5149

Surface and Volume Properties
Accessible surface: 644.769	Positive charged surface: 363.599	Negative charged surface: 281.169	Volume: 351.125
Hydrophobic surface: 492.881	Hydrophilic surface: 151.888

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

MMs00867223
CHEMDIV-ZINC01515754