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CHEMBRIDGE-ZINC02831396

 MMsINC code: MMs00722039
Type: Neutral
Formula: C10H22NO4P
SMILES:   P(O)(=O)(CCC(O)=O)CN(CCC)CCC
InChI:   InChI=1/C10H22NO4P/c1-3-6-11(7-4-2)9-16(14,15)8-5-10(12)13/h3-9H2,1-2H3,(H,12,13)(H,14,15)

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Potential Energy
Epot(MMFF94)=28.3544 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.263 g/mol  logS: 0.44925  SlogP: 0.7408  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.073012  Sterimol/B1: 2.41263  Sterimol/B2: 3.18902  Sterimol/B3: 3.59361
  Sterimol/B4: 8.69243  Sterimol/L: 14.3191 
 
 Surface and Volume Properties
  Accessible surface: 504.103  Positive charged surface: 351.895  Negative charged surface: 152.208  Volume: 244.625
  Hydrophobic surface: 299.357  Hydrophilic surface: 204.746
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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


MMs00722040
CHEMBRIDGE-ZINC02831396