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NCID-ZINC04705971

 MMsINC code: MMs02394626
Type: Neutral
Formula: C9H14N2O2
SMILES:   O=C(N)C1CC2(C1)CC(C2)C(=O)N
InChI:   InChI=1/C9H14N2O2/c10-7(12)5-1-9(2-5)3-6(4-9)8(11)13/h5-6H,1-4H2,(H2,10,12)(H2,11,13)/t5-,6-,9-/m1/s1

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Potential Energy
Epot(MMFF94)=27.1525 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.223 g/mol  logS: -1.02972  SlogP: -0.2366  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114401  Sterimol/B1: 2.44516  Sterimol/B2: 3.18246  Sterimol/B3: 3.47619
  Sterimol/B4: 4.23972  Sterimol/L: 13.1271 
 
 Surface and Volume Properties
  Accessible surface: 381.802  Positive charged surface: 130.469  Negative charged surface: 78.3566  Volume: 175.875
  Hydrophobic surface: 175.451  Hydrophilic surface: 206.351
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: no related molecules available.