MMsINC Database Search


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MMsINC code: MMs03912270

Type: Neutral
Formula: C₂₀H₂₆O₄

SMILES:

O(CC(O)C(O)COc1cc(ccc1C)C)c1cc(ccc1C)C

InChI:

InChI=1/C20H26O4/c1-13-5-7-15(3)19(9-13)23-11-17(21)18(22)12-24-20-10-14(2)6-8-16(20)4/h5-10,17-18,21-22H,11-12H2,1-4H3/t17-,18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.353 kcal/mol

Physical Properties
Molecular Weight: 330.424 g/mol	logS: -4.14368	SlogP: 3.09988	Reactive groups: 0

Topological Properties
Globularity: 0.0193482	Sterimol/B1: 2.40611	Sterimol/B2: 2.96947	Sterimol/B3: 3.14421
Sterimol/B4: 7.57976	Sterimol/L: 18.7596

Surface and Volume Properties
Accessible surface: 654.383	Positive charged surface: 422.907	Negative charged surface: 231.477	Volume: 342.875
Hydrophobic surface: 585.001	Hydrophilic surface: 69.382

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.