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CHEMBLOCK-ZINC00052567

 MMsINC code: MMs00489821
Type: Neutral
Formula: C11H20N2O3
SMILES:   O1C2(CCCCC2)C(O)(N(CCN)C1=O)C
InChI:   InChI=1/C11H20N2O3/c1-10(15)11(5-3-2-4-6-11)16-9(14)13(10)8-7-12/h15H,2-8,12H2,1H3/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=33.7442 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.292 g/mol  logS: -1.22591  SlogP: 0.8087  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.144859  Sterimol/B1: 1.969  Sterimol/B2: 2.81682  Sterimol/B3: 4.99394
  Sterimol/B4: 5.80226  Sterimol/L: 13.2523 
 
 Surface and Volume Properties
  Accessible surface: 426.282  Positive charged surface: 320.96  Negative charged surface: 105.322  Volume: 221.5
  Hydrophobic surface: 272.381  Hydrophilic surface: 153.901
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs00489822
CHEMBLOCK-ZINC00052567