MMsINC Database Search


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MMsINC code: MMs02367527

Type: Neutral
Formula: C₂₁H₂₄O₈

SMILES:

O(c1c(OC)cc(cc1OC)C(=O)C)c1cc(OC)c(OC)c(OC)c1C(=O)C

InChI:

InChI=1/C21H24O8/c1-11(22)13-8-15(24-3)19(16(9-13)25-4)29-14-10-17(26-5)20(27-6)21(28-7)18(14)12(2)23/h8-10H,1-7H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=158.831 kcal/mol

Physical Properties
Molecular Weight: 404.415 g/mol	logS: -4.04403	SlogP: 3.9271	Reactive groups: 0

Topological Properties
Globularity: 0.217534	Sterimol/B1: 4.34187	Sterimol/B2: 4.65496	Sterimol/B3: 5.20071
Sterimol/B4: 6.27971	Sterimol/L: 16.1891

Surface and Volume Properties
Accessible surface: 667.369	Positive charged surface: 520.468	Negative charged surface: 146.9	Volume: 376.625
Hydrophobic surface: 567.724	Hydrophilic surface: 99.645

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 7	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.