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MMsINC code: MMs01595377

Type: Neutral
Formula: C₂₀H₂₃NO₄

SMILES:

O(C(=O)c1ccc(cc1)CO)CC(=O)Nc1ccc(cc1)C(C)(C)C

InChI:

InChI=1/C20H23NO4/c1-20(2,3)16-8-10-17(11-9-16)21-18(23)13-25-19(24)15-6-4-14(12-22)5-7-15/h4-11,22H,12-13H2,1-3H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.03 kcal/mol

Physical Properties
Molecular Weight: 341.407 g/mol	logS: -5.55364	SlogP: 3.5383	Reactive groups: 0

Topological Properties
Globularity: 0.021177	Sterimol/B1: 2.04993	Sterimol/B2: 3.05688	Sterimol/B3: 4.71848
Sterimol/B4: 5.79341	Sterimol/L: 20.2232

Surface and Volume Properties
Accessible surface: 642.286	Positive charged surface: 409.958	Negative charged surface: 232.329	Volume: 339.125
Hydrophobic surface: 444.812	Hydrophilic surface: 197.474

Pharmacophoric Properties
Hydrogen bond donors: 2	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.