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APOLLO-ZINC04202304

 MMsINC code: MMs00056829
Type: Neutral
Formula: C10H20N2O2
SMILES:   O(C(C)(C)C)C(=O)N1CCC(N)CC1
InChI:   InChI=1/C10H20N2O2/c1-10(2,3)14-9(13)12-6-4-8(11)5-7-12/h8H,4-7,11H2,1-3H3

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Potential Energy
Epot(MMFF94)=10.9095 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.282 g/mol  logS: -0.95931  SlogP: 1.3446  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119249  Sterimol/B1: 2.15415  Sterimol/B2: 3.59636  Sterimol/B3: 4.03668
  Sterimol/B4: 5.00467  Sterimol/L: 12.7834 
 
 Surface and Volume Properties
  Accessible surface: 430.966  Positive charged surface: 336.45  Negative charged surface: 94.5155  Volume: 208.75
  Hydrophobic surface: 300.362  Hydrophilic surface: 130.604
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs00056830
APOLLO-ZINC04202304