MMsINC Database Search


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MMsINC code: MMs02091244

Type: Neutral
Formula: C₁₅H₁₀O₆

SMILES:

O1c2c(cc(O)cc2)C(=O)C(O)=C1c1ccc(O)cc1O

InChI:

InChI=1/C15H10O6/c16-7-2-4-12-10(5-7)13(19)14(20)15(21-12)9-3-1-8(17)6-11(9)18/h1-6,16-18,20H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.9655 kcal/mol

Physical Properties
Molecular Weight: 286.239 g/mol	logS: -3.13672	SlogP: 2.3053	Reactive groups: 1

Topological Properties
Globularity: 0.0489878	Sterimol/B1: 2.097	Sterimol/B2: 3.96328	Sterimol/B3: 4.42226
Sterimol/B4: 4.77663	Sterimol/L: 15.4189

Surface and Volume Properties
Accessible surface: 475.893	Positive charged surface: 287.39	Negative charged surface: 188.503	Volume: 241.375
Hydrophobic surface: 254.336	Hydrophilic surface: 221.557

Pharmacophoric Properties
Hydrogen bond donors: 4	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.