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NCID-ZINC01707657

 MMsINC code: MMs02335813
Type: Neutral
Formula: C9H22NO3P
SMILES:   P(OCC)(OCC)(=O)C(N)C(CC)C
InChI:   InChI=1/C9H22NO3P/c1-5-8(4)9(10)14(11,12-6-2)13-7-3/h8-9H,5-7,10H2,1-4H3/t8-,9+/m0/s1

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Potential Energy
Epot(MMFF94)=49.3341 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.253 g/mol  logS: -1.08386  SlogP: 1.5132  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0757127  Sterimol/B1: 3.28067  Sterimol/B2: 3.30628  Sterimol/B3: 4.6548
  Sterimol/B4: 5.43025  Sterimol/L: 13.6042 
 
 Surface and Volume Properties
  Accessible surface: 462.712  Positive charged surface: 337.606  Negative charged surface: 125.106  Volume: 227.25
  Hydrophobic surface: 306.519  Hydrophilic surface: 156.193
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.