MMsINC Database Search


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MMsINC code: MMs00578695

Type: Neutral
Formula: C₂₀H₂₄O₆

SMILES:

O(C)c1c(OC)cc(OCc2cc(OC)c(OCC=C)cc2)cc1OC

InChI:

InChI=1/C20H24O6/c1-6-9-25-16-8-7-14(10-17(16)21-2)13-26-15-11-18(22-3)20(24-5)19(12-15)23-4/h6-8,10-12H,1,9,13H2,2-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.602 kcal/mol

Physical Properties
Molecular Weight: 360.406 g/mol	logS: -3.95129	SlogP: 4.1312	Reactive groups: 0

Topological Properties
Globularity: 0.106331	Sterimol/B1: 2.35834	Sterimol/B2: 5.2442	Sterimol/B3: 6.5314
Sterimol/B4: 7.61114	Sterimol/L: 20.4773

Surface and Volume Properties
Accessible surface: 685.525	Positive charged surface: 532.775	Negative charged surface: 152.75	Volume: 353.875
Hydrophobic surface: 580.98	Hydrophilic surface: 104.545

Pharmacophoric Properties
Hydrogen bond donors: 0	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.