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NCID-ZINC01718773

 MMsINC code: MMs02344062
Type: Neutral
Formula: C9H20NO5P
SMILES:   P(OCC)(OCC)(=O)CCCNC(OC)=O
InChI:   InChI=1/C9H20NO5P/c1-4-14-16(12,15-5-2)8-6-7-10-9(11)13-3/h4-8H2,1-3H3,(H,10,11)

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Potential Energy
Epot(MMFF94)=-9.02264 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.235 g/mol  logS: -0.71696  SlogP: 0.9284  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0355338  Sterimol/B1: 2.10383  Sterimol/B2: 2.56329  Sterimol/B3: 4.14123
  Sterimol/B4: 7.98112  Sterimol/L: 16.9542 
 
 Surface and Volume Properties
  Accessible surface: 525.005  Positive charged surface: 401.116  Negative charged surface: 123.89  Volume: 240.125
  Hydrophobic surface: 373.219  Hydrophilic surface: 151.786
 
 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.