MMsINC Database Search


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MMsINC code: MMs02215255

Type: Neutral
Formula: C₁₆H₁₈O₆

SMILES:

O(C)c1cc(cc(OC)c1O)-c1cc(OC)c(O)c(OC)c1

InChI:

InChI=1/C16H18O6/c1-19-11-5-9(6-12(20-2)15(11)17)10-7-13(21-3)16(18)14(8-10)22-4/h5-8,17-18H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.033 kcal/mol

Physical Properties
Molecular Weight: 306.314 g/mol	logS: -3.28888	SlogP: 2.7992	Reactive groups: 0

Topological Properties
Globularity: 0.0234453	Sterimol/B1: 2.34886	Sterimol/B2: 2.3773	Sterimol/B3: 2.37739
Sterimol/B4: 9.51266	Sterimol/L: 13.3158

Surface and Volume Properties
Accessible surface: 545.767	Positive charged surface: 428.29	Negative charged surface: 105.236	Volume: 282.875
Hydrophobic surface: 417.401	Hydrophilic surface: 128.366

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 6	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.