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NCID-ZINC05840834

 MMsINC code: MMs02505550
Type: Neutral
Formula: C8H16NO5P
SMILES:   P(OCC)(OCC)(=O)C1NC(=O)C(O)C1
InChI:   InChI=1/C8H16NO5P/c1-3-13-15(12,14-4-2)7-5-6(10)8(11)9-7/h6-7,10H,3-5H2,1-2H3,(H,9,11)/t6-,7+/m0/s1

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Potential Energy
Epot(MMFF94)=38.5031 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.192 g/mol  logS: -0.46717  SlogP: -0.6108  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0784507  Sterimol/B1: 2.24773  Sterimol/B2: 2.9314  Sterimol/B3: 3.75733
  Sterimol/B4: 8.22939  Sterimol/L: 12.1072 
 
 Surface and Volume Properties
  Accessible surface: 452.862  Positive charged surface: 314.46  Negative charged surface: 138.402  Volume: 207
  Hydrophobic surface: 255.734  Hydrophilic surface: 197.128
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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: no related molecules available.