MMsINC Database Search


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MMsINC code: MMs02183038

Type: Neutral
Formula: C₁₇H₁₆O₇

SMILES:

O1c2c(cc(OC)c(OC)c2OC)C(=O)c2c1c(OC)ccc2O

InChI:

InChI=1/C17H16O7/c1-20-10-6-5-9(18)12-13(19)8-7-11(21-2)16(22-3)17(23-4)14(8)24-15(10)12/h5-7,18H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.715 kcal/mol

Physical Properties
Molecular Weight: 332.308 g/mol	logS: -3.84621	SlogP: 2.7633	Reactive groups: 0

Topological Properties
Globularity: 0.039929	Sterimol/B1: 3.01747	Sterimol/B2: 3.32942	Sterimol/B3: 3.55195
Sterimol/B4: 7.69876	Sterimol/L: 13.9324

Surface and Volume Properties
Accessible surface: 552.903	Positive charged surface: 448.689	Negative charged surface: 104.214	Volume: 295.25
Hydrophobic surface: 455.66	Hydrophilic surface: 97.243

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.