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APOLLO-ZINC02577008

 MMsINC code: MMs00055139
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-/m1/s1

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Potential Energy
Epot(MMFF94)=60.8184 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: 0.110664  Sterimol/B1: 2.32118  Sterimol/B2: 2.60785  Sterimol/B3: 3.19291
  Sterimol/B4: 5.27238  Sterimol/L: 10.3888 
 
 Surface and Volume Properties
  Accessible surface: 344.335  Positive charged surface: 276.318  Negative charged surface: 68.0164  Volume: 156.125
  Hydrophobic surface: 208.709  Hydrophilic surface: 135.626
 
 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.