MMsINC Database Search


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MMsINC code: MMs03090590

Type: Neutral
Formula: C₁₅H₁₄O₆

SMILES:

o1c2c(cc(O)c(OC)c2OC)c2c1c(OC)c(O)cc2

InChI:

InChI=1/C15H14O6/c1-18-13-9(16)5-4-7-8-6-10(17)14(19-2)15(20-3)12(8)21-11(7)13/h4-6,16-17H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.5285 kcal/mol

Physical Properties
Molecular Weight: 290.271 g/mol	logS: -4.10413	SlogP: 3.023	Reactive groups: 0

Topological Properties
Globularity: 0.0442691	Sterimol/B1: 2.68253	Sterimol/B2: 2.99623	Sterimol/B3: 3.38422
Sterimol/B4: 7.0962	Sterimol/L: 14.4501

Surface and Volume Properties
Accessible surface: 503.55	Positive charged surface: 378.672	Negative charged surface: 113.356	Volume: 259.75
Hydrophobic surface: 388.184	Hydrophilic surface: 115.366

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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.