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MMsINC code: MMs01321766

Type: Neutral
Formula: C₂₀H₂₃NO₅

SMILES:

O(C)c1cc(OC)ccc1C(OCC(=O)NCCCc1ccccc1)=O

InChI:

InChI=1/C20H23NO5/c1-24-16-10-11-17(18(13-16)25-2)20(23)26-14-19(22)21-12-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.0817 kcal/mol

Physical Properties
Molecular Weight: 357.406 g/mol	logS: -4.07108	SlogP: 2.60957	Reactive groups: 0

Topological Properties
Globularity: 0.0188954	Sterimol/B1: 1.969	Sterimol/B2: 3.61592	Sterimol/B3: 3.61882
Sterimol/B4: 8.60453	Sterimol/L: 22.2745

Surface and Volume Properties
Accessible surface: 682.53	Positive charged surface: 486.082	Negative charged surface: 196.449	Volume: 351.75
Hydrophobic surface: 579.371	Hydrophilic surface: 103.159

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.