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NCID-ZINC04895982

 MMsINC code: MMs02413144
Type: Neutral
Formula: C9H20NO4P
SMILES:   P(OCC)(OCC)(=O)CCCNC(=O)C
InChI:   InChI=1/C9H20NO4P/c1-4-13-15(12,14-5-2)8-6-7-10-9(3)11/h4-8H2,1-3H3,(H,10,11)

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Potential Energy
Epot(MMFF94)=1.67377 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.236 g/mol  logS: -0.6475  SlogP: 0.7085  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0442488  Sterimol/B1: 2.13544  Sterimol/B2: 2.55952  Sterimol/B3: 4.14012
  Sterimol/B4: 7.91199  Sterimol/L: 15.975 
 
 Surface and Volume Properties
  Accessible surface: 508.799  Positive charged surface: 360.699  Negative charged surface: 148.1  Volume: 229.375
  Hydrophobic surface: 368.84  Hydrophilic surface: 139.959
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.