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MMsINC code: MMs02570876

Type: Neutral
Formula: C₂₀H₂₃NO₅

SMILES:

O(CC(OCCOCC)=O)c1ccc(cc1)C(=O)Nc1ccccc1C

InChI:

InChI=1/C20H23NO5/c1-3-24-12-13-25-19(22)14-26-17-10-8-16(9-11-17)20(23)21-18-7-5-4-6-15(18)2/h4-11H,3,12-14H2,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.038 kcal/mol

Physical Properties
Molecular Weight: 357.406 g/mol	logS: -4.44374	SlogP: 3.20582	Reactive groups: 1

Topological Properties
Globularity: 0.0134628	Sterimol/B1: 2.28791	Sterimol/B2: 2.46876	Sterimol/B3: 4.11258
Sterimol/B4: 8.27797	Sterimol/L: 21.5921

Surface and Volume Properties
Accessible surface: 688.394	Positive charged surface: 453.513	Negative charged surface: 234.881	Volume: 348.375
Hydrophobic surface: 577.764	Hydrophilic surface: 110.63

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.