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MMsINC code: MMs03079076

Type: Ionized
Formula: C₃H₄O₇P-3

SMILES:

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

InChI:

InChI=1/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/p-3/t2-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.8707 kcal/mol

Physical Properties
Molecular Weight: 183.032 g/mol	logS: 0.62763	SlogP: -5.1277	Reactive groups: 0

Topological Properties
Globularity: 0.116719	Sterimol/B1: 3.09216	Sterimol/B2: 3.26581	Sterimol/B3: 3.52937
Sterimol/B4: 3.54738	Sterimol/L: 10.4877

Surface and Volume Properties
Accessible surface: 313.347	Positive charged surface: 98.5918	Negative charged surface: 214.755	Volume: 117.375
Hydrophobic surface: 50.03	Hydrophilic surface: 263.317

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 5	Basic groups: 0
Chiral centers: 1

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:

MMs03079075
PUBCHEM-ZINC03869933