MMsINC Database Search


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MMsINC code: MMs02468943

Type: Neutral
Formula: C₆H₁₃O₇P

SMILES:

P(O)(O)(=O)CC1OC(CO)C(O)C1O

InChI:

InChI=1/C6H13O7P/c7-1-3-5(8)6(9)4(13-3)2-14(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4+,5+,6-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=17.97 kcal/mol

Physical Properties
Molecular Weight: 228.137 g/mol	logS: 1.39512	SlogP: -3.4246	Reactive groups: 0

Topological Properties
Globularity: 0.139036	Sterimol/B1: 2.82745	Sterimol/B2: 3.27802	Sterimol/B3: 3.3032
Sterimol/B4: 5.59539	Sterimol/L: 11.2142

Surface and Volume Properties
Accessible surface: 397.838	Positive charged surface: 276.999	Negative charged surface: 120.839	Volume: 177
Hydrophobic surface: 137.16	Hydrophilic surface: 260.678

Pharmacophoric Properties
Hydrogen bond donors: 6	Hydrogen bond acceptors: 7	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.