MMsINC Database Search


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MMsINC code: MMs02091505

Type: Neutral
Formula: C₁₅H₁₀O₆

SMILES:

O1c2c(C(=O)C(O)=C1c1ccccc1O)c(O)cc(O)c2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.0675 kcal/mol

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

Topological Properties
Globularity: 0.0573877	Sterimol/B1: 2.097	Sterimol/B2: 4.24857	Sterimol/B3: 4.44563
Sterimol/B4: 4.67329	Sterimol/L: 14.2186

Surface and Volume Properties
Accessible surface: 475.488	Positive charged surface: 289.659	Negative charged surface: 185.83	Volume: 240.375
Hydrophobic surface: 267.401	Hydrophilic surface: 208.087

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.