MMsINC Database Search


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MMsINC code: MMs02398690

Type: Neutral
Formula: C₇H₁₄O₇

SMILES:

O1C(C(O)CO)C(O)C(O)C(O)C1O

InChI:

InChI=1/C7H14O7/c8-1-2(9)6-4(11)3(10)5(12)7(13)14-6/h2-13H,1H2/t2-,3-,4+,5-,6-,7+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.7319 kcal/mol

Physical Properties
Molecular Weight: 210.182 g/mol	logS: 1.45249	SlogP: -3.8605	Reactive groups: 0

Topological Properties
Globularity: 0.153644	Sterimol/B1: 3.13979	Sterimol/B2: 3.16235	Sterimol/B3: 3.24269
Sterimol/B4: 5.31435	Sterimol/L: 11.456

Surface and Volume Properties
Accessible surface: 376.221	Positive charged surface: 293.057	Negative charged surface: 83.1641	Volume: 172.875
Hydrophobic surface: 124.755	Hydrophilic surface: 251.466

Pharmacophoric Properties
Hydrogen bond donors: 6	Hydrogen bond acceptors: 7	Acid groups: 0	Basic groups: 0
Chiral centers: 6

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.