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MMsINC code: MMs03416628

Type: Neutral
Formula: C₅H₁₁O₇P

SMILES:

P(OCC1OCC(O)C1O)(O)(O)=O

InChI:

InChI=1/C5H11O7P/c6-3-1-11-4(5(3)7)2-12-13(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)=-21.0535 kcal/mol

Physical Properties
Molecular Weight: 214.11 g/mol	logS: 0.93802	SlogP: -2.8539	Reactive groups: 0

Topological Properties
Globularity: 0.079336	Sterimol/B1: 2.43327	Sterimol/B2: 2.5899	Sterimol/B3: 3.85652
Sterimol/B4: 4.97429	Sterimol/L: 12.5876

Surface and Volume Properties
Accessible surface: 386.763	Positive charged surface: 255.479	Negative charged surface: 131.284	Volume: 160.625
Hydrophobic surface: 130.135	Hydrophilic surface: 256.628

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

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Ions/Tautomers related molecules

MMs03416629
PUBCHEM-ZINC05850787