MMsINC Database Search


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MMsINC code: MMs01722546

Type: Neutral
Formula: C₂₀H₂₂O₈

SMILES:

O(C)c1c(OC)cc(cc1OC)C(OCC(=O)c1cc(OC)ccc1OC)=O

InChI:

InChI=1/C20H22O8/c1-23-13-6-7-16(24-2)14(10-13)15(21)11-28-20(22)12-8-17(25-3)19(27-5)18(9-12)26-4/h6-10H,11H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=141.472 kcal/mol

Physical Properties
Molecular Weight: 390.388 g/mol	logS: -4.11776	SlogP: 2.7693	Reactive groups: 0

Topological Properties
Globularity: 0.0120144	Sterimol/B1: 2.62268	Sterimol/B2: 2.74039	Sterimol/B3: 2.86474
Sterimol/B4: 8.86427	Sterimol/L: 18.9344

Surface and Volume Properties
Accessible surface: 689.13	Positive charged surface: 553.09	Negative charged surface: 136.04	Volume: 361.625
Hydrophobic surface: 586.99	Hydrophilic surface: 102.14

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.