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PUBCHEM-ZINC05471600

 MMsINC code: MMs03279227
Type: Neutral
Formula: C9H20NO3P
SMILES:   P(OC(C)C)(=O)(CN(C(=O)C)CC)C
InChI:   InChI=1/C9H20NO3P/c1-6-10(9(4)11)7-14(5,12)13-8(2)3/h8H,6-7H2,1-5H3/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=35.0228 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 221.237 g/mol  logS: -0.11789  SlogP: 1.075  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0993318  Sterimol/B1: 2.40383  Sterimol/B2: 2.43434  Sterimol/B3: 4.48942
  Sterimol/B4: 5.57145  Sterimol/L: 12.6016 
 
 Surface and Volume Properties
  Accessible surface: 450.625  Positive charged surface: 302.955  Negative charged surface: 147.67  Volume: 224.25
  Hydrophobic surface: 314.104  Hydrophilic surface: 136.521
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.