MMsINC Database Search


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MMsINC code: MMs02497015

Type: Neutral
Formula: C₂₀H₂₄O₆

SMILES:

O(C)c1c(OC)c(OC)ccc1\C=C/c1cc(OC)c(OC)c(OC)c1

InChI:

InChI=1/C20H24O6/c1-21-15-10-9-14(18(24-4)20(15)26-6)8-7-13-11-16(22-2)19(25-5)17(12-13)23-3/h7-12H,1-6H3/b8-7-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=164.852 kcal/mol

Physical Properties
Molecular Weight: 360.406 g/mol	logS: -4.24789	SlogP: 3.9086	Reactive groups: 0

Topological Properties
Globularity: 0.251909	Sterimol/B1: 2.36574	Sterimol/B2: 2.76964	Sterimol/B3: 6.32338
Sterimol/B4: 8.50265	Sterimol/L: 15.4786

Surface and Volume Properties
Accessible surface: 602.398	Positive charged surface: 519.21	Negative charged surface: 83.1878	Volume: 348.25
Hydrophobic surface: 564.125	Hydrophilic surface: 38.273

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.