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MMsINC code: MMs02334121

Type: Neutral
Formula: C₂₄H₂₆O₄

SMILES:

O(C(=O)c1ccccc1-c1ccccc1C(OC1CCCC1)=O)C1CCCC1

InChI:

InChI=1/C24H26O4/c25-23(27-17-9-1-2-10-17)21-15-7-5-13-19(21)20-14-6-8-16-22(20)24(26)28-18-11-3-4-12-18/h5-8,13-18H,1-4,9-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.38 kcal/mol

Physical Properties
Molecular Weight: 378.468 g/mol	logS: -6.48656	SlogP: 5.5524	Reactive groups: 0

Topological Properties
Globularity: 0.407952	Sterimol/B1: 2.93367	Sterimol/B2: 5.00288	Sterimol/B3: 8.29571
Sterimol/B4: 8.56972	Sterimol/L: 12.7279

Surface and Volume Properties
Accessible surface: 648.094	Positive charged surface: 448.634	Negative charged surface: 198.075	Volume: 380.25
Hydrophobic surface: 630.563	Hydrophilic surface: 17.531

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: 1

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Ions/Tautomers related molecules: no related molecules available.