MMsINC Database Search


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MMsINC code: MMs03764711

Type: Neutral
Formula: C₅H₁₀O₅

SMILES:

O1CC(O)C(O)(O)C1(O)C

InChI:

InChI=1/C5H10O5/c1-4(7)5(8,9)3(6)2-10-4/h3,6-9H,2H2,1H3/t3-,4+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.1857 kcal/mol

Physical Properties
Molecular Weight: 150.13 g/mol	logS: 0.48901	SlogP: -2.2331	Reactive groups: 0

Topological Properties
Globularity: 0.31039	Sterimol/B1: 2.50988	Sterimol/B2: 3.71384	Sterimol/B3: 3.72643
Sterimol/B4: 3.91066	Sterimol/L: 9.10365

Surface and Volume Properties
Accessible surface: 305.836	Positive charged surface: 224.373	Negative charged surface: 81.4635	Volume: 125.125
Hydrophobic surface: 118.704	Hydrophilic surface: 187.132

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.