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PUBCHEM-ZINC05442568

 MMsINC code: MMs03270210
Type: Neutral
Formula: C9H18N2O2
SMILES:   OC1NC(=O)NC(C(C)C)C1(C)C
InChI:   InChI=1/C9H18N2O2/c1-5(2)6-9(3,4)7(12)11-8(13)10-6/h5-7,12H,1-4H3,(H2,10,11,13)/t6-,7+/m1/s1

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Potential Energy
Epot(MMFF94)=46.5357 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.255 g/mol  logS: -0.76742  SlogP: 0.6684  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.427722  Sterimol/B1: 3.55208  Sterimol/B2: 3.72791  Sterimol/B3: 4.39017
  Sterimol/B4: 5.52388  Sterimol/L: 9.08139 
 
 Surface and Volume Properties
  Accessible surface: 363.747  Positive charged surface: 256.687  Negative charged surface: 107.06  Volume: 186.5
  Hydrophobic surface: 177.611  Hydrophilic surface: 186.136
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 2  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.