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APOLLO-ZINC03880901

 MMsINC code: MMs00056227
Type: Neutral
Formula: C10H20N2O2
SMILES:   O(C(C)(C)C)C(=O)N1CC(N)CCC1
InChI:   InChI=1/C10H20N2O2/c1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h8H,4-7,11H2,1-3H3/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=21.7229 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: 0.111707  Sterimol/B1: 2.27412  Sterimol/B2: 3.05682  Sterimol/B3: 4.91026
  Sterimol/B4: 4.99414  Sterimol/L: 12.4192 
 
 Surface and Volume Properties
  Accessible surface: 429.078  Positive charged surface: 334.003  Negative charged surface: 95.0752  Volume: 210
  Hydrophobic surface: 299.587  Hydrophilic surface: 129.491
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00056228
APOLLO-ZINC03880901