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MMsINC code: MMs01565354

Type: Neutral
Formula: C₂₀H₂₁NO₅

SMILES:

O1CCOc2c1cc(cc2)C(OCC(=O)N(Cc1ccccc1)CC)=O

InChI:

InChI=1/C20H21NO5/c1-2-21(13-15-6-4-3-5-7-15)19(22)14-26-20(23)16-8-9-17-18(12-16)25-11-10-24-17/h3-9,12H,2,10-11,13-14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.753 kcal/mol

Physical Properties
Molecular Weight: 355.39 g/mol	logS: -4.1779	SlogP: 2.9297	Reactive groups: 0

Topological Properties
Globularity: 0.0398173	Sterimol/B1: 2.32017	Sterimol/B2: 3.29212	Sterimol/B3: 3.75587
Sterimol/B4: 8.98821	Sterimol/L: 18.7501

Surface and Volume Properties
Accessible surface: 632.961	Positive charged surface: 415.232	Negative charged surface: 217.73	Volume: 339.125
Hydrophobic surface: 521.016	Hydrophilic surface: 111.945

Pharmacophoric Properties
Hydrogen bond donors: 0	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.