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MMsINC code: MMs02999056

Type: Neutral
Formula: C₂₀H₂₄O₇

SMILES:

O(C)c1c(OC)cc(cc1OC)C(CC(O)=O)c1cc(OC)c(OC)cc1

InChI:

InChI=1/C20H24O7/c1-23-15-7-6-12(8-16(15)24-2)14(11-19(21)22)13-9-17(25-3)20(27-5)18(10-13)26-4/h6-10,14H,11H2,1-5H3,(H,21,22)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136.139 kcal/mol

Physical Properties
Molecular Weight: 376.405 g/mol	logS: -3.19203	SlogP: 3.3362	Reactive groups: 0

Topological Properties
Globularity: 0.249302	Sterimol/B1: 2.56852	Sterimol/B2: 3.92238	Sterimol/B3: 7.61531
Sterimol/B4: 7.6742	Sterimol/L: 15.3611

Surface and Volume Properties
Accessible surface: 642.82	Positive charged surface: 534.609	Negative charged surface: 108.211	Volume: 357.25
Hydrophobic surface: 521.719	Hydrophilic surface: 121.101

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 7	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02999057
PUBCHEM-ZINC03132265