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MMsINC code: MMs01453058

Type: Neutral
Formula: C₂₂H₂₃N₃O₄

SMILES:

O=C1N(CC(C)C)C(=O)N(CC(=O)NC(c2ccccc2)c2ccccc2)C1=O

InChI:

InChI=1/C22H23N3O4/c1-15(2)13-24-20(27)21(28)25(22(24)29)14-18(26)23-19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,19H,13-14H2,1-2H3,(H,23,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.5238 kcal/mol

Physical Properties
Molecular Weight: 393.443 g/mol	logS: -4.75493	SlogP: 2.4345	Reactive groups: 0

Topological Properties
Globularity: 0.0768387	Sterimol/B1: 3.04442	Sterimol/B2: 4.00705	Sterimol/B3: 4.60312
Sterimol/B4: 7.58264	Sterimol/L: 17.5849

Surface and Volume Properties
Accessible surface: 674.108	Positive charged surface: 387.712	Negative charged surface: 286.395	Volume: 375.625
Hydrophobic surface: 496.871	Hydrophilic surface: 177.237

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.