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MMsINC code: MMs02906512

Type: Neutral
Formula: C₂₃H₂₉NO₄

SMILES:

O(CCCC(=O)Nc1ccccc1C(OC)=O)c1ccc(cc1)C(CC)(C)C

InChI:

InChI=1/C23H29NO4/c1-5-23(2,3)17-12-14-18(15-13-17)28-16-8-11-21(25)24-20-10-7-6-9-19(20)22(26)27-4/h6-7,9-10,12-15H,5,8,11,16H2,1-4H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.969 kcal/mol

Physical Properties
Molecular Weight: 383.488 g/mol	logS: -6.43191	SlogP: 4.9585	Reactive groups: 0

Topological Properties
Globularity: 0.0172266	Sterimol/B1: 2.77311	Sterimol/B2: 3.74839	Sterimol/B3: 4.19279
Sterimol/B4: 7.15301	Sterimol/L: 21.0563

Surface and Volume Properties
Accessible surface: 713.31	Positive charged surface: 488.46	Negative charged surface: 224.85	Volume: 391.625
Hydrophobic surface: 593.074	Hydrophilic surface: 120.236

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.