MMsINC Database Search


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MMsINC code: MMs00015301

Type: Neutral
Formula: C₅H₁₀O₅

SMILES:

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

InChI:

InChI=1/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.8973 kcal/mol

Physical Properties
Molecular Weight: 150.13 g/mol	logS: 1.04741	SlogP: -2.5823	Reactive groups: 0

Topological Properties
Globularity: 0.317208	Sterimol/B1: 2.19799	Sterimol/B2: 2.8857	Sterimol/B3: 3.13896
Sterimol/B4: 5.52492	Sterimol/L: 7.87715

Surface and Volume Properties
Accessible surface: 303.141	Positive charged surface: 229.654	Negative charged surface: 73.4872	Volume: 125.5
Hydrophobic surface: 108.142	Hydrophilic surface: 194.999

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

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.