MMsINC Database Search


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MMsINC code: MMs02222832

Type: Neutral
Formula: C₁₅H₁₄O₅

SMILES:

O1c2cc(ccc2OC1)Cc1cc(O)c(OC)cc1O

InChI:

InChI=1/C15H14O5/c1-18-14-7-11(16)10(6-12(14)17)4-9-2-3-13-15(5-9)20-8-19-13/h2-3,5-7,16-17H,4,8H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.8435 kcal/mol

Physical Properties
Molecular Weight: 274.272 g/mol	logS: -2.46939	SlogP: 2.42587	Reactive groups: 0

Topological Properties
Globularity: 0.104485	Sterimol/B1: 2.15951	Sterimol/B2: 2.49358	Sterimol/B3: 4.8534
Sterimol/B4: 5.88201	Sterimol/L: 14.6884

Surface and Volume Properties
Accessible surface: 491.967	Positive charged surface: 344.654	Negative charged surface: 147.313	Volume: 249.25
Hydrophobic surface: 347.003	Hydrophilic surface: 144.964

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.