MMsINC Database Search


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MMsINC code: MMs02381176

Type: Neutral
Formula: C₆H₁₃O₉P

SMILES:

P(OCC1OC(O)C(O)C(O)C1O)(O)(O)=O

InChI:

InChI=1/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/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)=-10.5364 kcal/mol

Physical Properties
Molecular Weight: 260.135 g/mol	logS: 1.46237	SlogP: -4.1746	Reactive groups: 0

Topological Properties
Globularity: 0.116459	Sterimol/B1: 3.05393	Sterimol/B2: 3.39398	Sterimol/B3: 3.8509
Sterimol/B4: 4.65609	Sterimol/L: 12.7067

Surface and Volume Properties
Accessible surface: 428.603	Positive charged surface: 284.705	Negative charged surface: 143.898	Volume: 191.75
Hydrophobic surface: 102.509	Hydrophilic surface: 326.094

Pharmacophoric Properties
Hydrogen bond donors: 7	Hydrogen bond acceptors: 9	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules

MMs02381177
NCID-ZINC03869396