MMsINC Database Search


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MMsINC code: MMs00490855

Type: Neutral
Formula: C₁₅H₁₀O₅

SMILES:

o1cc(c2cc(O)ccc12)C(=O)c1cc(O)ccc1O

InChI:

InChI=1/C15H10O5/c16-8-1-3-13(18)11(6-8)15(19)12-7-20-14-4-2-9(17)5-10(12)14/h1-7,16-18H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.2803 kcal/mol

Physical Properties
Molecular Weight: 270.24 g/mol	logS: -3.81717	SlogP: 2.7806	Reactive groups: 0

Topological Properties
Globularity: 0.108726	Sterimol/B1: 3.6347	Sterimol/B2: 3.82202	Sterimol/B3: 4.03154
Sterimol/B4: 4.12026	Sterimol/L: 14.4306

Surface and Volume Properties
Accessible surface: 471.242	Positive charged surface: 250.838	Negative charged surface: 215.006	Volume: 237.25
Hydrophobic surface: 287.374	Hydrophilic surface: 183.868

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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.