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CHEMDIV-ZINC02554970

 MMsINC code: MMs00883246
Type: Neutral
Formula: C8H14N2O2
SMILES:   O=C1NCC(=O)NC1CC(C)C
InChI:   InChI=1/C8H14N2O2/c1-5(2)3-6-8(12)9-4-7(11)10-6/h5-6H,3-4H2,1-2H3,(H,9,12)(H,10,11)/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=60.2253 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.212 g/mol  logS: -1.64394  SlogP: -0.3529  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.198717  Sterimol/B1: 2.26966  Sterimol/B2: 3.7418  Sterimol/B3: 4.2892
  Sterimol/B4: 4.60094  Sterimol/L: 10.6059 
 
 Surface and Volume Properties
  Accessible surface: 361.83  Positive charged surface: 247.253  Negative charged surface: 114.578  Volume: 165.5
  Hydrophobic surface: 177.461  Hydrophilic surface: 184.369
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.