MMsINC Database Search


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MMsINC code: MMs02310100

Type: Neutral
Formula: C₂₀H₂₂O₈

SMILES:

O1c2c(ccc(OC)c2)C(=O)C(OC)(O)C1(OC)c1cc(OC)c(OC)cc1

InChI:

InChI=1/C20H22O8/c1-23-13-7-8-14-16(11-13)28-20(27-5,19(22,26-4)18(14)21)12-6-9-15(24-2)17(10-12)25-3/h6-11,22H,1-5H3/t19-,20-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=153.563 kcal/mol

Physical Properties
Molecular Weight: 390.388 g/mol	logS: -4.00271	SlogP: 2.4334	Reactive groups: 0

Topological Properties
Globularity: 0.19026	Sterimol/B1: 2.99192	Sterimol/B2: 4.82518	Sterimol/B3: 5.65605
Sterimol/B4: 6.70358	Sterimol/L: 16.89

Surface and Volume Properties
Accessible surface: 625.431	Positive charged surface: 496.757	Negative charged surface: 128.674	Volume: 354.875
Hydrophobic surface: 543.469	Hydrophilic surface: 81.962

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 8	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.