MMsINC Database Search


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MMsINC code: MMs02426626

Type: Neutral
Formula: C₁₅H₁₀O₇

SMILES:

O1c2c(C(=O)C=C1c1c(O)cc(O)cc1O)c(O)cc(O)c2

InChI:

InChI=1/C15H10O7/c16-6-1-8(18)14(9(19)2-6)13-5-11(21)15-10(20)3-7(17)4-12(15)22-13/h1-5,16-20H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.5094 kcal/mol

Physical Properties
Molecular Weight: 302.238 g/mol	logS: -2.73874	SlogP: 1.8308	Reactive groups: 1

Topological Properties
Globularity: 0.0590831	Sterimol/B1: 2.49402	Sterimol/B2: 3.90531	Sterimol/B3: 4.30978
Sterimol/B4: 4.96744	Sterimol/L: 14.8129

Surface and Volume Properties
Accessible surface: 494.772	Positive charged surface: 294.929	Negative charged surface: 199.842	Volume: 247.25
Hydrophobic surface: 229.912	Hydrophilic surface: 264.86

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 6	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.