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MMsINC code: MMs02906396

Type: Neutral
Formula: C₂₄H₃₂O₄

SMILES:

O(C(=O)CCc1cc(OCC)c(OCCCC)cc1)c1ccccc1C(C)C

InChI:

InChI=1/C24H32O4/c1-5-7-16-27-22-14-12-19(17-23(22)26-6-2)13-15-24(25)28-21-11-9-8-10-20(21)18(3)4/h8-12,14,17-18H,5-7,13,15-16H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.2333 kcal/mol

Physical Properties
Molecular Weight: 384.516 g/mol	logS: -6.10541	SlogP: 5.92577	Reactive groups: 0

Topological Properties
Globularity: 0.0264614	Sterimol/B1: 2.73867	Sterimol/B2: 3.30963	Sterimol/B3: 3.76929
Sterimol/B4: 9.92739	Sterimol/L: 21.2913

Surface and Volume Properties
Accessible surface: 754.911	Positive charged surface: 522.163	Negative charged surface: 232.747	Volume: 406.875
Hydrophobic surface: 635.332	Hydrophilic surface: 119.579

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.