MMsINC Database Search


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MMsINC code: MMs02438481

Type: Neutral
Formula: C₆H₁₃O₈P

SMILES:

[PH](OCC1OC(O)C(O)C(O)C1O)(O)=O

InChI:

InChI=1/C6H13O8P/c7-3-2(1-13-15(11)12)14-6(10)5(9)4(3)8/h2-10,15H,1H2,(H,11,12)/t2-,3+,4-,5-,6+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.3185 kcal/mol

Physical Properties
Molecular Weight: 244.136 g/mol	logS: 0.76042	SlogP: -3.8853	Reactive groups: 0

Topological Properties
Globularity: 0.115228	Sterimol/B1: 3.02855	Sterimol/B2: 3.37559	Sterimol/B3: 3.58233
Sterimol/B4: 4.7465	Sterimol/L: 12.7832

Surface and Volume Properties
Accessible surface: 415.692	Positive charged surface: 266.224	Negative charged surface: 149.468	Volume: 184
Hydrophobic surface: 132.137	Hydrophilic surface: 283.555

Pharmacophoric Properties
Hydrogen bond donors: 6	Hydrogen bond acceptors: 8	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.