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MMsINC code: MMs02381136

Type: Ionized
Formula: C₃H₄O₇P-3

SMILES:

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

InChI:

InChI=1/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/p-3/t2-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=19.7967 kcal/mol

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

Topological Properties
Globularity: 0.249167	Sterimol/B1: 2.19037	Sterimol/B2: 3.24617	Sterimol/B3: 3.24688
Sterimol/B4: 4.6055	Sterimol/L: 9.57685

Surface and Volume Properties
Accessible surface: 293.097	Positive charged surface: 90.7274	Negative charged surface: 202.37	Volume: 116.875
Hydrophobic surface: 57.4772	Hydrophilic surface: 235.6198

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:

MMs02381135
NCID-ZINC03869232