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CHEMBLOCK-ZINC00052568

 MMsINC code: MMs00489823
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-/m0/s1

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Potential Energy
Epot(MMFF94)=34.7363 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: 0.154817  Sterimol/B1: 2.45629  Sterimol/B2: 2.5222  Sterimol/B3: 4.83059
  Sterimol/B4: 5.36114  Sterimol/L: 13.2524 
 
 Surface and Volume Properties
  Accessible surface: 422.622  Positive charged surface: 317.353  Negative charged surface: 105.27  Volume: 220.5
  Hydrophobic surface: 266.024  Hydrophilic surface: 156.598
 
 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


MMs00489824
CHEMBLOCK-ZINC00052568