MMsINC Database Search


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MMsINC code: MMs02259258

Type: Neutral
Formula: C₂₀H₂₆O₇

SMILES:

O(C)c1c(OC)cc(cc1OC)C(O)Cc1cc(OC)c(OC)c(OC)c1

InChI:

InChI=1/C20H26O7/c1-22-15-8-12(9-16(23-2)19(15)26-5)7-14(21)13-10-17(24-3)20(27-6)18(11-13)25-4/h8-11,14,21H,7H2,1-6H3/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=153.106 kcal/mol

Physical Properties
Molecular Weight: 378.421 g/mol	logS: -3.28755	SlogP: 3.10977	Reactive groups: 0

Topological Properties
Globularity: 0.027108	Sterimol/B1: 2.38308	Sterimol/B2: 2.67933	Sterimol/B3: 3.39635
Sterimol/B4: 9.44998	Sterimol/L: 18.6556

Surface and Volume Properties
Accessible surface: 670.546	Positive charged surface: 576.334	Negative charged surface: 94.2115	Volume: 367.75
Hydrophobic surface: 601.587	Hydrophilic surface: 68.959

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 7	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.