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NCID-ZINC05464180

 MMsINC code: MMs02464645
Type: Neutral
Formula: C9H14N2O3
SMILES:   O=C1N(CCC)C(=O)CC1NC(=O)C
InChI:   InChI=1/C9H14N2O3/c1-3-4-11-8(13)5-7(9(11)14)10-6(2)12/h7H,3-5H2,1-2H3,(H,10,12)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=3.86967 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.222 g/mol  logS: -0.7841  SlogP: -0.34  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0994027  Sterimol/B1: 2.70036  Sterimol/B2: 2.7038  Sterimol/B3: 3.64908
  Sterimol/B4: 5.84423  Sterimol/L: 12.9397 
 
 Surface and Volume Properties
  Accessible surface: 412.751  Positive charged surface: 266.305  Negative charged surface: 146.447  Volume: 186.875
  Hydrophobic surface: 266.211  Hydrophilic surface: 146.54
 
 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.