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PUBCHEM-ZINC05167224

 MMsINC code: MMs03219470
Type: Neutral
Formula: C9H18N2O3
SMILES:   OC(=O)C(NC)(C(=O)C)CCCCN
InChI:   InChI=1/C9H18N2O3/c1-7(12)9(11-2,8(13)14)5-3-4-6-10/h11H,3-6,10H2,1-2H3,(H,13,14)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=57.3655 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.254 g/mol  logS: 0.0113  SlogP: -0.2528  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.185166  Sterimol/B1: 2.38441  Sterimol/B2: 3.35154  Sterimol/B3: 4.4603
  Sterimol/B4: 6.11994  Sterimol/L: 12.7096 
 
 Surface and Volume Properties
  Accessible surface: 420.759  Positive charged surface: 304.822  Negative charged surface: 115.937  Volume: 201.5
  Hydrophobic surface: 232.432  Hydrophilic surface: 188.327
 
 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: no related molecules available.