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OAKWOOD-ZINC02583493

 MMsINC code: MMs02547133
Type: Neutral
Formula: C10H20N2O2
SMILES:   O(C(C)(C)C)C(=O)N1CC(NCC1)C
InChI:   InChI=1/C10H20N2O2/c1-8-7-12(6-5-11-8)9(13)14-10(2,3)4/h8,11H,5-7H2,1-4H3/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=35.6787 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.282 g/mol  logS: -0.95856  SlogP: 1.2152  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108079  Sterimol/B1: 2.53045  Sterimol/B2: 3.42872  Sterimol/B3: 3.77653
  Sterimol/B4: 5.6651  Sterimol/L: 12.8445 
 
 Surface and Volume Properties
  Accessible surface: 431.101  Positive charged surface: 340.298  Negative charged surface: 90.8037  Volume: 211.5
  Hydrophobic surface: 321.004  Hydrophilic surface: 110.097
 
 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


MMs02547134
OAKWOOD-ZINC02583493