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PUBCHEM-ZINC05975939

 MMsINC code: MMs03471406
Type: Neutral
Formula: C5H12NO5P
SMILES:   P(OCC1CNCC1O)(O)(O)=O
InChI:   InChI=1/C5H12NO5P/c7-5-2-6-1-4(5)3-11-12(8,9)10/h4-7H,1-3H2,(H2,8,9,10)/t4-,5-/m1/s1

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Potential Energy
Epot(MMFF94)=-49.0111 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 197.127 g/mol  logS: 1.03485  SlogP: -2.3942  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104025  Sterimol/B1: 2.36206  Sterimol/B2: 3.24188  Sterimol/B3: 3.35378
  Sterimol/B4: 5.04089  Sterimol/L: 11.7418 
 
 Surface and Volume Properties
  Accessible surface: 374.352  Positive charged surface: 267.615  Negative charged surface: 106.737  Volume: 158
  Hydrophobic surface: 151.203  Hydrophilic surface: 223.149
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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
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Ions/Tautomers related molecules


MMs03471407
PUBCHEM-ZINC05975939