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IBS-ZINC02353855

 MMsINC code: MMs01841244
Type: Neutral
Formula: C9H22NO3P
SMILES:   P(OCC)(OCC)(=O)C(N)CC(C)C
InChI:   InChI=1/C9H22NO3P/c1-5-12-14(11,13-6-2)9(10)7-8(3)4/h8-9H,5-7,10H2,1-4H3/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=46.8528 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.253 g/mol  logS: -1.39731  SlogP: 1.5132  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.137992  Sterimol/B1: 2.3751  Sterimol/B2: 3.3328  Sterimol/B3: 3.83989
  Sterimol/B4: 8.4813  Sterimol/L: 12.8395 
 
 Surface and Volume Properties
  Accessible surface: 451.19  Positive charged surface: 330.047  Negative charged surface: 121.143  Volume: 225.125
  Hydrophobic surface: 294.488  Hydrophilic surface: 156.702
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: no related molecules available.