MMsINC Database Search


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MMsINC code: MMs02661445

Type: Neutral
Formula: C₁₉H₂₂N₂O₄

SMILES:

O(C)c1ccc(cc1NC(=O)C)Cc1cc(NC(=O)C)c(OC)cc1

InChI:

InChI=1/C19H22N2O4/c1-12(22)20-16-10-14(5-7-18(16)24-3)9-15-6-8-19(25-4)17(11-15)21-13(2)23/h5-8,10-11H,9H2,1-4H3,(H,20,22)(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.961 kcal/mol

Physical Properties
Molecular Weight: 342.395 g/mol	logS: -4.02092	SlogP: 3.21137	Reactive groups: 0

Topological Properties
Globularity: 0.110164	Sterimol/B1: 2.52828	Sterimol/B2: 3.1874	Sterimol/B3: 4.67404
Sterimol/B4: 8.36171	Sterimol/L: 14.9782

Surface and Volume Properties
Accessible surface: 629.435	Positive charged surface: 459.545	Negative charged surface: 169.89	Volume: 334
Hydrophobic surface: 520.892	Hydrophilic surface: 108.543

Pharmacophoric Properties
Hydrogen bond donors: 2	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.