MMsINC Database Search


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MMsINC code: MMs03089402

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-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-19.233 kcal/mol

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

Topological Properties
Globularity: 0.0850617	Sterimol/B1: 3.08327	Sterimol/B2: 3.28784	Sterimol/B3: 3.28805
Sterimol/B4: 5.36487	Sterimol/L: 12.73

Surface and Volume Properties
Accessible surface: 432.913	Positive charged surface: 280.339	Negative charged surface: 152.574	Volume: 191.875
Hydrophobic surface: 100.522	Hydrophilic surface: 332.391

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

MMs03089403
PUBCHEM-ZINC04095545