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NCID-ZINC01766998

 MMsINC code: MMs02370023
Type: Neutral
Formula: C9H16N2O3
SMILES:   O=C1N(CCO)C(=O)NC1(CC)CC
InChI:   InChI=1/C9H16N2O3/c1-3-9(4-2)7(13)11(5-6-12)8(14)10-9/h12H,3-6H2,1-2H3,(H,10,14)

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Potential Energy
Epot(MMFF94)=8.16625 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.238 g/mol  logS: -0.88991  SlogP: 0.0893  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.219723  Sterimol/B1: 1.99497  Sterimol/B2: 3.88999  Sterimol/B3: 3.93987
  Sterimol/B4: 6.9308  Sterimol/L: 10.4198 
 
 Surface and Volume Properties
  Accessible surface: 385.551  Positive charged surface: 273.823  Negative charged surface: 111.727  Volume: 192.875
  Hydrophobic surface: 231.894  Hydrophilic surface: 153.657
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.