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MMsINC code: MMs03089719

Type: Ionized
Formula: C₄H₆O₈P-3

SMILES:

P(OC(C(O)C(=O)[O-])CO)(=O)([O-])[O-]

InChI:

InChI=1/C4H9O8P/c5-1-2(3(6)4(7)8)12-13(9,10)11/h2-3,5-6H,1H2,(H,7,8)(H2,9,10,11)/p-3/t2-,3-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=22.0005 kcal/mol

Physical Properties
Molecular Weight: 213.058 g/mol	logS: 0.83017	SlogP: -5.7668	Reactive groups: 0

Topological Properties
Globularity: 0.173	Sterimol/B1: 2.30051	Sterimol/B2: 3.21381	Sterimol/B3: 3.30333
Sterimol/B4: 5.64181	Sterimol/L: 9.65071

Surface and Volume Properties
Accessible surface: 331.509	Positive charged surface: 120.935	Negative charged surface: 210.574	Volume: 140.75
Hydrophobic surface: 70.6783	Hydrophilic surface: 260.8307

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 5	Basic groups: 0
Chiral centers: 2

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Parent related molecule:

MMs03089718
PUBCHEM-ZINC04096089