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MMsINC code: MMs00513720

Type: Neutral
Formula: C₂₂H₁₈N₂O₄

SMILES:

OC(=O)c1ccc(NC(=O)c2ccccc2NC(=O)Cc2ccccc2)cc1

InChI:

InChI=1/C22H18N2O4/c25-20(14-15-6-2-1-3-7-15)24-19-9-5-4-8-18(19)21(26)23-17-12-10-16(11-13-17)22(27)28/h1-13H,14H2,(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)=111.248 kcal/mol

Physical Properties
Molecular Weight: 374.396 g/mol	logS: -5.35573	SlogP: 3.81827	Reactive groups: 0

Topological Properties
Globularity: 0.0314861	Sterimol/B1: 3.19065	Sterimol/B2: 3.61553	Sterimol/B3: 4.06403
Sterimol/B4: 8.918	Sterimol/L: 19.2381

Surface and Volume Properties
Accessible surface: 656.435	Positive charged surface: 375.2	Negative charged surface: 281.235	Volume: 351.75
Hydrophobic surface: 504.207	Hydrophilic surface: 152.228

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

MMs00513721
CHEMBLOCK-ZINC01072544