MMsINC Database Search


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MMsINC code: MMs02383624

Type: Neutral
Formula: C₇H₁₄O₅

SMILES:

O1COC(C)C(O)C(O)C1CO

InChI:

InChI=1/C7H14O5/c1-4-6(9)7(10)5(2-8)12-3-11-4/h4-10H,2-3H2,1H3/t4-,5-,6-,7+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.7364 kcal/mol

Physical Properties
Molecular Weight: 178.184 g/mol	logS: 0.55025	SlogP: -1.5381	Reactive groups: 0

Topological Properties
Globularity: 0.146553	Sterimol/B1: 2.43399	Sterimol/B2: 3.49839	Sterimol/B3: 3.51769
Sterimol/B4: 4.48219	Sterimol/L: 11.0112

Surface and Volume Properties
Accessible surface: 346.883	Positive charged surface: 263.305	Negative charged surface: 83.5779	Volume: 157.875
Hydrophobic surface: 169.362	Hydrophilic surface: 177.521

Pharmacophoric Properties
Hydrogen bond donors: 3	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.