MMsINC Database Search


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MMsINC code: MMs01569891

Type: Neutral
Formula: C₁₅H₁₄O₇

SMILES:

o1c(ccc1COC(=O)c1cc(OC)ccc1O)C(OC)=O

InChI:

InChI=1/C15H14O7/c1-19-9-3-5-12(16)11(7-9)14(17)21-8-10-4-6-13(22-10)15(18)20-2/h3-7,16H,8H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.1488 kcal/mol

Physical Properties
Molecular Weight: 306.27 g/mol	logS: -3.50916	SlogP: 2.4038	Reactive groups: 0

Topological Properties
Globularity: 0.0779594	Sterimol/B1: 2.49983	Sterimol/B2: 3.63831	Sterimol/B3: 4.74773
Sterimol/B4: 7.85996	Sterimol/L: 16.1114

Surface and Volume Properties
Accessible surface: 567.793	Positive charged surface: 384.394	Negative charged surface: 183.399	Volume: 272.875
Hydrophobic surface: 417.254	Hydrophilic surface: 150.539

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.