MMsINC Database Search


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MMsINC code: MMs00523902

Type: Neutral
Formula: C₁₉H₂₃NO₄

SMILES:

O(C)c1c(OC)cc(cc1OC)C(=O)NC(CC)c1ccccc1

InChI:

InChI=1/C19H23NO4/c1-5-15(13-9-7-6-8-10-13)20-19(21)14-11-16(22-2)18(24-4)17(12-14)23-3/h6-12,15H,5H2,1-4H3,(H,20,21)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.498 kcal/mol

Physical Properties
Molecular Weight: 329.396 g/mol	logS: -3.97903	SlogP: 3.689	Reactive groups: 0

Topological Properties
Globularity: 0.0800327	Sterimol/B1: 2.28988	Sterimol/B2: 2.49043	Sterimol/B3: 5.20294
Sterimol/B4: 8.89357	Sterimol/L: 16.0529

Surface and Volume Properties
Accessible surface: 600.982	Positive charged surface: 445.371	Negative charged surface: 155.611	Volume: 329.75
Hydrophobic surface: 539.93	Hydrophilic surface: 61.052

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.