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MMsINC code: MMs02570621

Type: Neutral
Formula: C₂₄H₂₃NO₄

SMILES:

O(CC(OCc1ccccc1)=O)c1ccc(cc1)C(=O)Nc1ccccc1CC

InChI:

InChI=1/C24H23NO4/c1-2-19-10-6-7-11-22(19)25-24(27)20-12-14-21(15-13-20)28-17-23(26)29-16-18-8-4-3-5-9-18/h3-15H,2,16-17H2,1H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.801 kcal/mol

Physical Properties
Molecular Weight: 389.451 g/mol	logS: -6.25701	SlogP: 4.88987	Reactive groups: 1

Topological Properties
Globularity: 0.0215829	Sterimol/B1: 2.25113	Sterimol/B2: 3.53201	Sterimol/B3: 3.91518
Sterimol/B4: 8.74004	Sterimol/L: 22.1389

Surface and Volume Properties
Accessible surface: 716.693	Positive charged surface: 415.736	Negative charged surface: 300.957	Volume: 386.375
Hydrophobic surface: 612.332	Hydrophilic surface: 104.361

Pharmacophoric Properties
Hydrogen bond donors: 1	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.