MMsINC Database Search


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MMsINC code: MMs01408372

Type: Neutral
Formula: C₁₉H₂₀N₂O₄

SMILES:

O1CCN(CC1)C(=O)COC(=O)c1ccccc1Nc1ccccc1

InChI:

InChI=1/C19H20N2O4/c22-18(21-10-12-24-13-11-21)14-25-19(23)16-8-4-5-9-17(16)20-15-6-2-1-3-7-15/h1-9,20H,10-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.757 kcal/mol

Physical Properties
Molecular Weight: 340.379 g/mol	logS: -3.74499	SlogP: 2.4458	Reactive groups: 0

Topological Properties
Globularity: 0.078424	Sterimol/B1: 2.61215	Sterimol/B2: 3.05011	Sterimol/B3: 4.71924
Sterimol/B4: 9.6485	Sterimol/L: 15.4134

Surface and Volume Properties
Accessible surface: 602.947	Positive charged surface: 413.254	Negative charged surface: 189.692	Volume: 325.25
Hydrophobic surface: 516.972	Hydrophilic surface: 85.975

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.