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NCID-ZINC01700900

 MMsINC code: MMs02330500
Type: Neutral
Formula: C7H14N2O3
SMILES:   OC(=O)C(NC(C)C)CC(=O)N
InChI:   InChI=1/C7H14N2O3/c1-4(2)9-5(7(11)12)3-6(8)10/h4-5,9H,3H2,1-2H3,(H2,8,10)(H,11,12)/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=17.2329 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 174.2 g/mol  logS: -0.16822  SlogP: -0.687  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.168483  Sterimol/B1: 2.14169  Sterimol/B2: 3.6965  Sterimol/B3: 4.03444
  Sterimol/B4: 5.5261  Sterimol/L: 10.6573 
 
 Surface and Volume Properties
  Accessible surface: 372.292  Positive charged surface: 263.307  Negative charged surface: 108.985  Volume: 167.625
  Hydrophobic surface: 143.883  Hydrophilic surface: 228.409
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.