MMsINC Database Search


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MMsINC code: MMs01738385

Type: Neutral
Formula: C₂₀H₂₀O₅

SMILES:

O(C)c1cc(ccc1OC)-c1cc(O)c2cc(OC)c(OC)cc2c1

InChI:

InChI=1/C20H20O5/c1-22-17-6-5-12(9-18(17)23-2)13-7-14-10-19(24-3)20(25-4)11-15(14)16(21)8-13/h5-11,21H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=138.169 kcal/mol

Physical Properties
Molecular Weight: 340.375 g/mol	logS: -5.52871	SlogP: 4.2468	Reactive groups: 0

Topological Properties
Globularity: 0.00876416	Sterimol/B1: 2.38161	Sterimol/B2: 2.46194	Sterimol/B3: 3.50025
Sterimol/B4: 7.51922	Sterimol/L: 17.7291

Surface and Volume Properties
Accessible surface: 617.576	Positive charged surface: 453.718	Negative charged surface: 139.426	Volume: 325.375
Hydrophobic surface: 538.088	Hydrophilic surface: 79.488

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.