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MMsINC code: MMs02744282

Type: Neutral
Formula: C₂₄H₂₃NO₄

SMILES:

O(CC(=O)Nc1cc(ccc1)C(O)=O)c1ccc(cc1)C(C)(C)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.078 kcal/mol

Physical Properties
Molecular Weight: 389.451 g/mol	logS: -6.54791	SlogP: 4.7282	Reactive groups: 0

Topological Properties
Globularity: 0.0621381	Sterimol/B1: 2.31024	Sterimol/B2: 3.80043	Sterimol/B3: 5.75932
Sterimol/B4: 6.68827	Sterimol/L: 19.4155

Surface and Volume Properties
Accessible surface: 682.35	Positive charged surface: 400.384	Negative charged surface: 281.967	Volume: 379.375
Hydrophobic surface: 502.907	Hydrophilic surface: 179.443

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs02744283
PUBCHEM-ZINC00956368