MMsINC Database Search


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MMsINC code: MMs02383588

Type: Neutral
Formula: C₈H₁₆O₇

SMILES:

O1C(C(O)CO)C(O)C(O)C(O)C1OC

InChI:

InChI=1/C8H16O7/c1-14-8-6(13)4(11)5(12)7(15-8)3(10)2-9/h3-13H,2H2,1H3/t3-,4-,5+,6-,7+,8+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.0403 kcal/mol

Physical Properties
Molecular Weight: 224.209 g/mol	logS: 1.10731	SlogP: -3.2064	Reactive groups: 0

Topological Properties
Globularity: 0.19567	Sterimol/B1: 2.37505	Sterimol/B2: 3.21648	Sterimol/B3: 3.30221
Sterimol/B4: 7.52279	Sterimol/L: 11.3778

Surface and Volume Properties
Accessible surface: 405.502	Positive charged surface: 335.564	Negative charged surface: 69.9374	Volume: 190.5
Hydrophobic surface: 203.166	Hydrophilic surface: 202.336

Pharmacophoric Properties
Hydrogen bond donors: 5	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.