MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs03090415

Type: Ionized
Formula: C₇H₁₃O₁₀P-2

SMILES:

P(OC1OC(C(O)CO)C(O)C(O)C1O)(=O)([O-])[O-]

InChI:

InChI=1/C7H15O10P/c8-1-2(9)6-4(11)3(10)5(12)7(16-6)17-18(13,14)15/h2-12H,1H2,(H2,13,14,15)/p-2/t2-,3+,4+,5+,6-,7+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.3531 kcal/mol

Physical Properties
Molecular Weight: 288.145 g/mol	logS: 1.52187	SlogP: -6.0777	Reactive groups: 0

Topological Properties
Globularity: 0.114377	Sterimol/B1: 3.06124	Sterimol/B2: 3.41422	Sterimol/B3: 3.60899
Sterimol/B4: 6.47893	Sterimol/L: 11.8352

Surface and Volume Properties
Accessible surface: 432.245	Positive charged surface: 227.807	Negative charged surface: 204.438	Volume: 207.875
Hydrophobic surface: 111.304	Hydrophilic surface: 320.941

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 7	Acid groups: 3	Basic groups: 0
Chiral centers: 6

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

search links for this molecule:

Parent related molecule:

MMs03090414
PUBCHEM-ZINC04097443