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PUBCHEM-ZINC00270818

 MMsINC code: MMs02648602
Type: Neutral
Formula: C7H12N2O2
SMILES:   O=C(N)C1CCCC1C(=O)N
InChI:   InChI=1/C7H12N2O2/c8-6(10)4-2-1-3-5(4)7(9)11/h4-5H,1-3H2,(H2,8,10)(H2,9,11)/t4-,5+

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Potential Energy
Epot(MMFF94)=15.2076 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.185 g/mol  logS: -0.72822  SlogP: -0.6267  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.222784  Sterimol/B1: 2.82187  Sterimol/B2: 3.49933  Sterimol/B3: 3.57564
  Sterimol/B4: 3.57989  Sterimol/L: 8.96486 
 
 Surface and Volume Properties
  Accessible surface: 329.216  Positive charged surface: 241.714  Negative charged surface: 87.5015  Volume: 148
  Hydrophobic surface: 159.183  Hydrophilic surface: 170.033
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.