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OAKWOOD-ZINC04202586

 MMsINC code: MMs02548086
Type: Neutral
Formula: C10H20N2O2
SMILES:   O(C(C)(C)C)C(=O)N1CCCC1CN
InChI:   InChI=1/C10H20N2O2/c1-10(2,3)14-9(13)12-6-4-5-8(12)7-11/h8H,4-7,11H2,1-3H3/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=29.2756 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: 0.118754  Sterimol/B1: 2.54781  Sterimol/B2: 3.0487  Sterimol/B3: 4.24518
  Sterimol/B4: 5.69779  Sterimol/L: 11.8246 
 
 Surface and Volume Properties
  Accessible surface: 436.512  Positive charged surface: 344.95  Negative charged surface: 91.5613  Volume: 211.5
  Hydrophobic surface: 305.754  Hydrophilic surface: 130.758
 
 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


MMs02548087
OAKWOOD-ZINC04202586