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NCID-ZINC02022306

 MMsINC code: MMs02377699
Type: Neutral
Formula: C10H22NO4P
SMILES:   P(OCC)(OCC)(=O)CCCCNC(=O)C
InChI:   InChI=1/C10H22NO4P/c1-4-14-16(13,15-5-2)9-7-6-8-11-10(3)12/h4-9H2,1-3H3,(H,11,12)

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Potential Energy
Epot(MMFF94)=2.80714 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.263 g/mol  logS: -0.84927  SlogP: 1.0986  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0364172  Sterimol/B1: 2.09293  Sterimol/B2: 2.56157  Sterimol/B3: 4.19717
  Sterimol/B4: 8.00706  Sterimol/L: 16.986 
 
 Surface and Volume Properties
  Accessible surface: 543.725  Positive charged surface: 388.31  Negative charged surface: 155.414  Volume: 250.125
  Hydrophobic surface: 401.145  Hydrophilic surface: 142.58
 
 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.