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MMsINC code: MMs00184268

Type: Neutral
Formula: C₂₁H₁₆O₇

SMILES:

O1Cc2c(c(c3c(cc(OC)c(OC)c3)c2O)-c2cc3OCOc3cc2)C1=O

InChI:

InChI=1/C21H16O7/c1-24-15-6-11-12(7-16(15)25-2)20(22)13-8-26-21(23)19(13)18(11)10-3-4-14-17(5-10)28-9-27-14/h3-7,22H,8-9H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.3 kcal/mol

Physical Properties
Molecular Weight: 380.352 g/mol	logS: -5.88718	SlogP: 3.8951	Reactive groups: 0

Topological Properties
Globularity: 0.0587501	Sterimol/B1: 2.57177	Sterimol/B2: 3.32525	Sterimol/B3: 3.76537
Sterimol/B4: 10.3196	Sterimol/L: 16.0114

Surface and Volume Properties
Accessible surface: 593.904	Positive charged surface: 431.892	Negative charged surface: 148.945	Volume: 330.375
Hydrophobic surface: 409.016	Hydrophilic surface: 184.888

Pharmacophoric Properties
Hydrogen bond donors: 1	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.