MMsINC Database Search


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MMsINC code: MMs02367530

Type: Neutral
Formula: C₂₆H₃₀O₁₀

SMILES:

O(c1c(OC)cc(OC)cc1OC)c1cc(OC)c(Oc2cc(OC)c(OC)c(OC)c2)c(OC)c1

InChI:

InChI=1/C26H30O10/c1-27-15-9-20(30-4)25(21(10-15)31-5)36-17-13-22(32-6)26(23(14-17)33-7)35-16-11-18(28-2)24(34-8)19(12-16)29-3/h9-14H,1-8H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=204.868 kcal/mol

Physical Properties
Molecular Weight: 502.516 g/mol	logS: -5.35334	SlogP: 5.34	Reactive groups: 0

Topological Properties
Globularity: 0.150723	Sterimol/B1: 3.27483	Sterimol/B2: 5.454	Sterimol/B3: 5.8446
Sterimol/B4: 7.83572	Sterimol/L: 18.9159

Surface and Volume Properties
Accessible surface: 793.386	Positive charged surface: 688.588	Negative charged surface: 104.798	Volume: 466.625
Hydrophobic surface: 742.151	Hydrophilic surface: 51.235

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 8	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 0	Violations of Lipinski's rule: 2	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.