MMsINC Database Search


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MMsINC code: MMs03197030

Type: Neutral
Formula: C₁₉H₂₃NO₄

SMILES:

O(C)c1ccc(OC)cc1NC(=O)c1ccc(OCC(C)C)cc1

InChI:

InChI=1/C19H23NO4/c1-13(2)12-24-15-7-5-14(6-8-15)19(21)20-17-11-16(22-3)9-10-18(17)23-4/h5-11,13H,12H2,1-4H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.887 kcal/mol

Physical Properties
Molecular Weight: 329.396 g/mol	logS: -4.23676	SlogP: 3.9909	Reactive groups: 0

Topological Properties
Globularity: 0.0169783	Sterimol/B1: 3.02433	Sterimol/B2: 3.23722	Sterimol/B3: 4.59203
Sterimol/B4: 5.96903	Sterimol/L: 19.2952

Surface and Volume Properties
Accessible surface: 624.985	Positive charged surface: 451.619	Negative charged surface: 173.366	Volume: 326.875
Hydrophobic surface: 530.832	Hydrophilic surface: 94.153

Pharmacophoric Properties
Hydrogen bond donors: 1	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.