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MMsINC code: MMs03079093

Type: Neutral
Formula: C₆H₁₄NO₈P

SMILES:

P(OC1OC(CO)C(O)C(O)C1N)(O)(O)=O

InChI:

InChI=1/C6H14NO8P/c7-3-5(10)4(9)2(1-8)14-6(3)15-16(11,12)13/h2-6,8-10H,1,7H2,(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)=-8.50861 kcal/mol

Physical Properties
Molecular Weight: 259.151 g/mol	logS: 1.56847	SlogP: -4.2082	Reactive groups: 0

Topological Properties
Globularity: 0.2177	Sterimol/B1: 2.89674	Sterimol/B2: 3.2743	Sterimol/B3: 4.11858
Sterimol/B4: 5.74207	Sterimol/L: 10.4053

Surface and Volume Properties
Accessible surface: 412.457	Positive charged surface: 279.485	Negative charged surface: 132.972	Volume: 194.625
Hydrophobic surface: 108.178	Hydrophilic surface: 304.279

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

MMs03079094
PUBCHEM-ZINC03869945