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APOLLO-ZINC04206640

 MMsINC code: MMs00056882
Type: Neutral
Formula: C7H12N2O3
SMILES:   OC(=O)C1CCN(CC1)C(=O)N
InChI:   InChI=1/C7H12N2O3/c8-7(12)9-3-1-5(2-4-9)6(10)11/h5H,1-4H2,(H2,8,12)(H,10,11)

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Potential Energy
Epot(MMFF94)=-17.4364 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.184 g/mol  logS: 0.09097  SlogP: -0.1383  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114484  Sterimol/B1: 2.48109  Sterimol/B2: 2.64314  Sterimol/B3: 3.32141
  Sterimol/B4: 4.89376  Sterimol/L: 11.329 
 
 Surface and Volume Properties
  Accessible surface: 342.438  Positive charged surface: 245.787  Negative charged surface: 96.6512  Volume: 154.75
  Hydrophobic surface: 152.855  Hydrophilic surface: 189.583
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs00056883
APOLLO-ZINC04206640