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IBS-ZINC03881250

 MMsINC code: MMs01871198
Type: Neutral
Formula: C11H20N2O4
SMILES:   O(C(=O)C(N1CCN(CC1)C)CC(OC)=O)C
InChI:   InChI=1/C11H20N2O4/c1-12-4-6-13(7-5-12)9(11(15)17-3)8-10(14)16-2/h9H,4-8H2,1-3H3/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=88.384 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.291 g/mol  logS: -0.23342  SlogP: -0.6615  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.165398  Sterimol/B1: 3.28205  Sterimol/B2: 4.18116  Sterimol/B3: 4.6554
  Sterimol/B4: 7.26597  Sterimol/L: 12.1711 
 
 Surface and Volume Properties
  Accessible surface: 474.372  Positive charged surface: 427.013  Negative charged surface: 47.3585  Volume: 236.125
  Hydrophobic surface: 419.71  Hydrophilic surface: 54.662
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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


MMs01871199
IBS-ZINC03881250