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APOLLO-ZINC04270052

 MMsINC code: MMs00057242
Type: Neutral
Formula: C7H14N2O2
SMILES:   OC(=O)C(N1CCNCC1)C
InChI:   InChI=1/C7H14N2O2/c1-6(7(10)11)9-4-2-8-3-5-9/h6,8H,2-5H2,1H3,(H,10,11)/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=65.7592 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 158.201 g/mol  logS: 0.27274  SlogP: -0.6353  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.229897  Sterimol/B1: 2.19466  Sterimol/B2: 2.4178  Sterimol/B3: 4.10331
  Sterimol/B4: 4.50983  Sterimol/L: 9.87175 
 
 Surface and Volume Properties
  Accessible surface: 338.74  Positive charged surface: 275.141  Negative charged surface: 63.5985  Volume: 154.5
  Hydrophobic surface: 209.19  Hydrophilic surface: 129.55
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: no related molecules available.