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NCID-ZINC01681430

 MMsINC code: MMs02315347
Type: Neutral
Formula: C8H14N2O3
SMILES:   O(C(=O)C(NC(=O)N1CC1)C)CC
InChI:   InChI=1/C8H14N2O3/c1-3-13-7(11)6(2)9-8(12)10-4-5-10/h6H,3-5H2,1-2H3,(H,9,12)/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=42.5878 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.211 g/mol  logS: -0.70977  SlogP: -0.0368  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0524262  Sterimol/B1: 2.78623  Sterimol/B2: 3.39218  Sterimol/B3: 3.44326
  Sterimol/B4: 4.38677  Sterimol/L: 14.199 
 
 Surface and Volume Properties
  Accessible surface: 426.027  Positive charged surface: 290.447  Negative charged surface: 135.58  Volume: 182.375
  Hydrophobic surface: 299.251  Hydrophilic surface: 126.776
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.