MMsINC Database Search


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MMsINC code: MMs03687034

Type: Neutral
Formula: C₅H₁₀O₅

SMILES:

O1CC(O)(CO)C(O)C1O

InChI:

InChI=1/C5H10O5/c6-1-5(9)2-10-4(8)3(5)7/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)=53.6074 kcal/mol

Physical Properties
Molecular Weight: 150.13 g/mol	logS: 1.04741	SlogP: -2.5807	Reactive groups: 0

Topological Properties
Globularity: 0.261233	Sterimol/B1: 2.37244	Sterimol/B2: 2.41484	Sterimol/B3: 3.88501
Sterimol/B4: 5.00318	Sterimol/L: 9.47541

Surface and Volume Properties
Accessible surface: 306.292	Positive charged surface: 238.406	Negative charged surface: 67.8861	Volume: 126.25
Hydrophobic surface: 117.997	Hydrophilic surface: 188.295

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.