MMsINC Database Search


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

MMsINC code: MMs03686949

Type: Neutral
Formula: C₅H₁₁O₆P

SMILES:

P(OCC1OCCC1O)(O)(O)=O

InChI:

InChI=1/C5H11O6P/c6-4-1-2-10-5(4)3-11-12(7,8)9/h4-6H,1-3H2,(H2,7,8,9)/t4-,5-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-40.5042 kcal/mol

Physical Properties
Molecular Weight: 198.111 g/mol	logS: 0.53371	SlogP: -1.8247	Reactive groups: 0

Topological Properties
Globularity: 0.0981227	Sterimol/B1: 2.76699	Sterimol/B2: 3.54105	Sterimol/B3: 3.56398
Sterimol/B4: 3.75643	Sterimol/L: 11.6315

Surface and Volume Properties
Accessible surface: 372.693	Positive charged surface: 251.197	Negative charged surface: 121.496	Volume: 153.375
Hydrophobic surface: 165.315	Hydrophilic surface: 207.378

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 6	Acid groups: 0	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:

Ions/Tautomers related molecules

MMs03686950
PUBCHEM-ZINC06361447