MMsINC Database Search


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MMsINC code: MMs03404227

Type: Neutral
Formula: C₁₀H₂₀O₈

SMILES:

O1C(CO)C(O)C(O)C(O)C1OCCC(O)CO

InChI:

InChI=1/C10H20O8/c11-3-5(13)1-2-17-10-9(16)8(15)7(14)6(4-12)18-10/h5-16H,1-4H2/t5-,6+,7+,8-,9+,10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.1826 kcal/mol

Physical Properties
Molecular Weight: 268.262 g/mol	logS: 1.10808	SlogP: -3.4538	Reactive groups: 0

Topological Properties
Globularity: 0.114058	Sterimol/B1: 3.32781	Sterimol/B2: 3.89409	Sterimol/B3: 4.25332
Sterimol/B4: 6.11485	Sterimol/L: 13.7102

Surface and Volume Properties
Accessible surface: 487.387	Positive charged surface: 381.345	Negative charged surface: 106.042	Volume: 234.125
Hydrophobic surface: 214.823	Hydrophilic surface: 272.564

Pharmacophoric Properties
Hydrogen bond donors: 6	Hydrogen bond acceptors: 8	Acid groups: 0	Basic groups: 0
Chiral centers: 6

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.