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MMsINC code: MMs02789495

Type: Neutral
Formula: C₂₂H₁₈N₂O₄

SMILES:

OC(=O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccccc2)c1C

InChI:

InChI=1/C22H18N2O4/c1-14-16(22(27)28)11-7-13-18(14)23-21(26)17-10-5-6-12-19(17)24-20(25)15-8-3-2-4-9-15/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)=130.012 kcal/mol

Physical Properties
Molecular Weight: 374.396 g/mol	logS: -5.45473	SlogP: 4.19782	Reactive groups: 0

Topological Properties
Globularity: 0.0512466	Sterimol/B1: 2.48215	Sterimol/B2: 4.05226	Sterimol/B3: 5.90877
Sterimol/B4: 6.92608	Sterimol/L: 16.736

Surface and Volume Properties
Accessible surface: 621.191	Positive charged surface: 344.397	Negative charged surface: 276.794	Volume: 349.5
Hydrophobic surface: 485.555	Hydrophilic surface: 135.636

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

MMs02789496
PUBCHEM-ZINC01217192