MMsINC Database Search


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MMsINC code: MMs02813669

Type: Neutral
Formula: C₅H₁₀O₅

SMILES:

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

InChI:

InChI=1/C5H10O5/c6-2-5(9)4(8)3(7)1-10-5/h3-4,6-9H,1-2H2/t3-,4+,5-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.4536 kcal/mol

Physical Properties
Molecular Weight: 150.13 g/mol	logS: 0.87218	SlogP: -2.5807	Reactive groups: 0

Topological Properties
Globularity: 0.213782	Sterimol/B1: 2.01413	Sterimol/B2: 3.01829	Sterimol/B3: 3.43073
Sterimol/B4: 5.32784	Sterimol/L: 9.95084

Surface and Volume Properties
Accessible surface: 311.481	Positive charged surface: 238.274	Negative charged surface: 73.2067	Volume: 126.5
Hydrophobic surface: 122.729	Hydrophilic surface: 188.752

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 3

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.