MMsINC Database Search


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MMsINC code: MMs01987627

Type: Neutral
Formula: C₂₀H₂₄N₂O₄

SMILES:

O(C(C(OC(=O)Nc1ccccc1)(C)C)(C)C)C(=O)Nc1ccccc1

InChI:

InChI=1/C20H24N2O4/c1-19(2,25-17(23)21-15-11-7-5-8-12-15)20(3,4)26-18(24)22-16-13-9-6-10-14-16/h5-14H,1-4H3,(H,21,23)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.348 kcal/mol

Physical Properties
Molecular Weight: 356.422 g/mol	logS: -5.04588	SlogP: 5.041	Reactive groups: 0

Topological Properties
Globularity: 0.0439683	Sterimol/B1: 2.34501	Sterimol/B2: 2.44395	Sterimol/B3: 4.814
Sterimol/B4: 4.99099	Sterimol/L: 20.8939

Surface and Volume Properties
Accessible surface: 632.42	Positive charged surface: 382.849	Negative charged surface: 249.572	Volume: 346.375
Hydrophobic surface: 496.43	Hydrophilic surface: 135.99

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.