MMsINC Database Search


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MMsINC code: MMs03506952

Type: Neutral
Formula: C₁₀H₂₀O₇

SMILES:

O1C(CO)C(O)C(O)C(O)C1OC(C(O)C)C

InChI:

InChI=1/C10H20O7/c1-4(12)5(2)16-10-9(15)8(14)7(13)6(3-11)17-10/h4-15H,3H2,1-2H3/t4-,5+,6-,7-,8+,9-,10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.0101 kcal/mol

Physical Properties
Molecular Weight: 252.263 g/mol	logS: 0.45289	SlogP: -2.4278	Reactive groups: 0

Topological Properties
Globularity: 0.0892567	Sterimol/B1: 2.53868	Sterimol/B2: 3.63276	Sterimol/B3: 3.95695
Sterimol/B4: 6.67705	Sterimol/L: 12.3774

Surface and Volume Properties
Accessible surface: 457.672	Positive charged surface: 338.103	Negative charged surface: 119.569	Volume: 229.5
Hydrophobic surface: 209.298	Hydrophilic surface: 248.374

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 7	Acid groups: 0	Basic groups: 0
Chiral centers: 7

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.