MMsINC Database Search


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MMsINC code: MMs03769042

Type: Neutral
Formula: C₇H₁₄O₅

SMILES:

O1C(C)C(O)C(O)C(OC)C1O

InChI:

InChI=1/C7H14O5/c1-3-4(8)5(9)6(11-2)7(10)12-3/h3-10H,1-2H3/t3-,4+,5+,6-,7+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.377 kcal/mol

Physical Properties
Molecular Weight: 178.184 g/mol	logS: 0.37502	SlogP: -1.5397	Reactive groups: 0

Topological Properties
Globularity: 0.175835	Sterimol/B1: 2.55447	Sterimol/B2: 3.35571	Sterimol/B3: 3.67161
Sterimol/B4: 4.95806	Sterimol/L: 11.1874

Surface and Volume Properties
Accessible surface: 359.201	Positive charged surface: 279.175	Negative charged surface: 80.026	Volume: 161.25
Hydrophobic surface: 196.184	Hydrophilic surface: 163.017

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

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.