MMsINC Database Search


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MMsINC code: MMs02290010

Type: Neutral
Formula: C₂₃H₂₆O₁₀

SMILES:

O1c2c(c(OC)c(OC)c(OC)c2OC)C(=O)C=C1c1cc(OC)c(OC)c(OC)c1OC

InChI:

InChI=1/C23H26O10/c1-25-14-9-11(16(26-2)20(29-5)17(14)27-3)13-10-12(24)15-18(28-4)21(30-6)23(32-8)22(31-7)19(15)33-13/h9-10H,1-8H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=199.005 kcal/mol

Physical Properties
Molecular Weight: 462.451 g/mol	logS: -4.95153	SlogP: 3.3716	Reactive groups: 1

Topological Properties
Globularity: 0.106125	Sterimol/B1: 2.19495	Sterimol/B2: 3.10103	Sterimol/B3: 5.97023
Sterimol/B4: 8.84184	Sterimol/L: 18.0961

Surface and Volume Properties
Accessible surface: 725.422	Positive charged surface: 645.796	Negative charged surface: 79.6265	Volume: 421.25
Hydrophobic surface: 655.389	Hydrophilic surface: 70.033

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 9	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: 0

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Ions/Tautomers related molecules: no related molecules available.