MMsINC Database Search


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MMsINC code: MMs00044640

Type: Neutral
Formula: C₁₀H₁₀O₅

SMILES:

Oc1c(C(=O)C)c(O)cc(O)c1C(=O)C

InChI:

InChI=1/C10H10O5/c1-4(11)8-6(13)3-7(14)9(5(2)12)10(8)15/h3,13-15H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.0666 kcal/mol

Physical Properties
Molecular Weight: 210.185 g/mol	logS: -0.92357	SlogP: 1.2086	Reactive groups: 0

Topological Properties
Globularity: 0.100971	Sterimol/B1: 2.35723	Sterimol/B2: 2.51188	Sterimol/B3: 3.96237
Sterimol/B4: 5.93498	Sterimol/L: 10.9415

Surface and Volume Properties
Accessible surface: 398.426	Positive charged surface: 227.993	Negative charged surface: 170.432	Volume: 183.375
Hydrophobic surface: 209.841	Hydrophilic surface: 188.585

Pharmacophoric Properties
Hydrogen bond donors: 3	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.