MMsINC Database Search


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MMsINC code: MMs02275699

Type: Neutral
Formula: C₁₈H₁₆O₈

SMILES:

O1c2cc(-c3c(OC)c(OC)c(OC)cc3C(O)=O)c(cc2OC1)C=O

InChI:

InChI=1/C18H16O8/c1-22-14-6-11(18(20)21)15(17(24-3)16(14)23-2)10-5-13-12(25-8-26-13)4-9(10)7-19/h4-7H,8H2,1-3H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.084 kcal/mol

Physical Properties
Molecular Weight: 360.318 g/mol	logS: -3.89301	SlogP: 2.6188	Reactive groups: 1

Topological Properties
Globularity: 0.157424	Sterimol/B1: 2.74139	Sterimol/B2: 4.58205	Sterimol/B3: 6.19055
Sterimol/B4: 6.58797	Sterimol/L: 15.5796

Surface and Volume Properties
Accessible surface: 566.943	Positive charged surface: 428.548	Negative charged surface: 138.144	Volume: 314.5
Hydrophobic surface: 368.144	Hydrophilic surface: 198.799

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 8	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

MMs02275700
NCID-ZINC01630490