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MMsINC code: MMs01419293

Type: Neutral
Formula: C₂₄H₂₃NO₅

SMILES:

O(C)c1cc(cc(OC)c1)C(OCC(=O)NC(c1ccccc1)c1ccccc1)=O

InChI:

InChI=1/C24H23NO5/c1-28-20-13-19(14-21(15-20)29-2)24(27)30-16-22(26)25-23(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15,23H,16H2,1-2H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.819 kcal/mol

Physical Properties
Molecular Weight: 405.45 g/mol	logS: -5.57574	SlogP: 3.8619	Reactive groups: 0

Topological Properties
Globularity: 0.0712325	Sterimol/B1: 3.42727	Sterimol/B2: 4.29269	Sterimol/B3: 5.2304
Sterimol/B4: 7.19511	Sterimol/L: 20.0745

Surface and Volume Properties
Accessible surface: 727.945	Positive charged surface: 465.273	Negative charged surface: 262.672	Volume: 392.625
Hydrophobic surface: 632.147	Hydrophilic surface: 95.798

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.