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MMsINC code: MMs00570438

Type: Neutral
Formula: C₂₂H₁₈N₂O₄

SMILES:

OC(=O)c1ccc(cc1)CNC(=O)c1ccccc1NC(=O)c1ccccc1

InChI:

InChI=1/C22H18N2O4/c25-20(16-6-2-1-3-7-16)24-19-9-5-4-8-18(19)21(26)23-14-15-10-12-17(13-11-15)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)=92.2391 kcal/mol

Physical Properties
Molecular Weight: 374.396 g/mol	logS: -5.2383	SlogP: 3.8335	Reactive groups: 0

Topological Properties
Globularity: 0.0367057	Sterimol/B1: 2.39006	Sterimol/B2: 3.55581	Sterimol/B3: 3.72789
Sterimol/B4: 9.50346	Sterimol/L: 19.9748

Surface and Volume Properties
Accessible surface: 650.121	Positive charged surface: 361.657	Negative charged surface: 288.463	Volume: 351.75
Hydrophobic surface: 490.673	Hydrophilic surface: 159.448

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

MMs00570439
CHEMBLOCK-ZINC04695771