MMsINC Database Search


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MMsINC code: MMs03416967

Type: Neutral
Formula: C₁₀H₂₀O₇

SMILES:

O1CC(O)C(O)C(O)C1OCCCC(O)CO

InChI:

InChI=1/C10H20O7/c11-4-6(12)2-1-3-16-10-9(15)8(14)7(13)5-17-10/h6-15H,1-5H2/t6-,7-,8+,9-,10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.5825 kcal/mol

Physical Properties
Molecular Weight: 252.263 g/mol	logS: 0.70377	SlogP: -2.4246	Reactive groups: 0

Topological Properties
Globularity: 0.034398	Sterimol/B1: 2.48813	Sterimol/B2: 2.65919	Sterimol/B3: 3.09708
Sterimol/B4: 5.90465	Sterimol/L: 16.3169

Surface and Volume Properties
Accessible surface: 494.56	Positive charged surface: 387.88	Negative charged surface: 106.68	Volume: 227.25
Hydrophobic surface: 253.766	Hydrophilic surface: 240.794

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

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.