MMsINC Database Search


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MMsINC code: MMs01067682

Type: Neutral
Formula: C₁₉H₂₀N₂O₄

SMILES:

O(C)c1c(OC)cc(NC(=O)Cc2c3c([nH]c2)cccc3)cc1OC

InChI:

InChI=1/C19H20N2O4/c1-23-16-9-13(10-17(24-2)19(16)25-3)21-18(22)8-12-11-20-15-7-5-4-6-14(12)15/h4-7,9-11,20H,8H2,1-3H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.7 kcal/mol

Physical Properties
Molecular Weight: 340.379 g/mol	logS: -3.85738	SlogP: 3.37487	Reactive groups: 0

Topological Properties
Globularity: 0.0896061	Sterimol/B1: 2.49247	Sterimol/B2: 3.62296	Sterimol/B3: 4.8147
Sterimol/B4: 8.66975	Sterimol/L: 16.5932

Surface and Volume Properties
Accessible surface: 617.346	Positive charged surface: 462.726	Negative charged surface: 151.724	Volume: 324.625
Hydrophobic surface: 517.855	Hydrophilic surface: 99.491

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.