MMsINC Database Search


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

MMsINC code: MMs03078962

Type: Neutral
Formula: C₅H₁₁O₇P

SMILES:

P(OCC1OC(O)CC1O)(O)(O)=O

InChI:

InChI=1/C5H11O7P/c6-3-1-5(7)12-4(3)2-11-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4-,5-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-48.9792 kcal/mol

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

Topological Properties
Globularity: 0.110701	Sterimol/B1: 3.20904	Sterimol/B2: 3.24545	Sterimol/B3: 3.55783
Sterimol/B4: 4.55699	Sterimol/L: 11.7498

Surface and Volume Properties
Accessible surface: 390.183	Positive charged surface: 250.375	Negative charged surface: 139.808	Volume: 161.375
Hydrophobic surface: 124.929	Hydrophilic surface: 265.254

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

MMs03078963
PUBCHEM-ZINC03869832