MMsINC Database Search


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

MMsINC code: MMs03078956

Type: Neutral
Formula: C₅H₁₁O₇P

SMILES:

P(OC1OC(CO)C(O)C1)(O)(O)=O

InChI:

InChI=1/C5H11O7P/c6-2-4-3(7)1-5(11-4)12-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-44.423 kcal/mol

Physical Properties
Molecular Weight: 214.11 g/mol	logS: 0.85552	SlogP: -2.5063	Reactive groups: 0

Topological Properties
Globularity: 0.0889858	Sterimol/B1: 2.5361	Sterimol/B2: 2.78935	Sterimol/B3: 3.3692
Sterimol/B4: 5.7865	Sterimol/L: 11.4974

Surface and Volume Properties
Accessible surface: 392.259	Positive charged surface: 250.187	Negative charged surface: 142.072	Volume: 159.5
Hydrophobic surface: 128.19	Hydrophilic surface: 264.069

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

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

MMs03078957
PUBCHEM-ZINC03869829