MMsINC Database Search


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MMsINC code: MMs02247938

Type: Neutral
Formula: C₁₉H₂₂N₂O₂

SMILES:

O=C(N(C)C)C(C(N(C=O)C)c1ccccc1)c1ccccc1

InChI:

InChI=1/C19H22N2O2/c1-20(2)19(23)17(15-10-6-4-7-11-15)18(21(3)14-22)16-12-8-5-9-13-16/h4-14,17-18H,1-3H3/t17-,18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.9806 kcal/mol

Physical Properties
Molecular Weight: 310.397 g/mol	logS: -3.09181	SlogP: 2.7834	Reactive groups: 0

Topological Properties
Globularity: 0.323647	Sterimol/B1: 3.80685	Sterimol/B2: 4.59145	Sterimol/B3: 5.72421
Sterimol/B4: 6.35945	Sterimol/L: 13.215

Surface and Volume Properties
Accessible surface: 543.242	Positive charged surface: 380.192	Negative charged surface: 163.05	Volume: 318.375
Hydrophobic surface: 486.083	Hydrophilic surface: 57.159

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.