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ACROSORGANICS-ZINC00098001

 MMsINC code: MMs00003963
Type: Neutral
Formula: C11H22N2O2
SMILES:   O=C(NC1CC(N(O)C(C1)(C)C)(C)C)C
InChI:   InChI=1/C11H22N2O2/c1-8(14)12-9-6-10(2,3)13(15)11(4,5)7-9/h9,15H,6-7H2,1-5H3,(H,12,14)

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Potential Energy
Epot(MMFF94)=40.4088 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.309 g/mol  logS: -1.20202  SlogP: 1.5333  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.205298  Sterimol/B1: 3.51438  Sterimol/B2: 3.52691  Sterimol/B3: 4.70934
  Sterimol/B4: 4.86098  Sterimol/L: 11.9424 
 
 Surface and Volume Properties
  Accessible surface: 428.17  Positive charged surface: 296.638  Negative charged surface: 131.531  Volume: 226.75
  Hydrophobic surface: 286.419  Hydrophilic surface: 141.751
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: no related molecules available.