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MMsINC code: MMs02813664

Type: Ionized
Formula: C₄H₇O₇P-2

SMILES:

P(OCC(O)C(O)C=O)(=O)([O-])[O-]

InChI:

InChI=1/C4H9O7P/c5-1-3(6)4(7)2-11-12(8,9)10/h1,3-4,6-7H,2H2,(H2,8,9,10)/p-2/t3-,4-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=1.04231 kcal/mol

Physical Properties
Molecular Weight: 198.067 g/mol	logS: 1.05391	SlogP: -4.3178	Reactive groups: 1

Topological Properties
Globularity: 0.17445	Sterimol/B1: 2.54995	Sterimol/B2: 2.69411	Sterimol/B3: 3.73824
Sterimol/B4: 4.32624	Sterimol/L: 11.2947

Surface and Volume Properties
Accessible surface: 335.721	Positive charged surface: 146.984	Negative charged surface: 188.737	Volume: 140.75
Hydrophobic surface: 74.6925	Hydrophilic surface: 261.0285

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 3	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

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Parent related molecule:

MMs02813663
PUBCHEM-ZINC01532602