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PUBCHEM-ZINC02003760

 MMsINC code: MMs02845016
Type: Neutral
Formula: C7H14N2O3
SMILES:   OC(=O)C(N)CCCCNC=O
InChI:   InChI=1/C7H14N2O3/c8-6(7(11)12)3-1-2-4-9-5-10/h5-6H,1-4,8H2,(H,9,10)(H,11,12)/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=13.3511 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 174.2 g/mol  logS: 0.0481  SlogP: -0.6854  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0570809  Sterimol/B1: 2.61816  Sterimol/B2: 3.08981  Sterimol/B3: 3.38601
  Sterimol/B4: 3.55601  Sterimol/L: 13.4959 
 
 Surface and Volume Properties
  Accessible surface: 392.038  Positive charged surface: 292.055  Negative charged surface: 99.9836  Volume: 168.875
  Hydrophobic surface: 159.289  Hydrophilic surface: 232.749
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.