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CHEMDIV-ZINC00079921

 MMsINC code: MMs00831121
Type: Neutral
Formula: C7H12N2O2
SMILES:   O=C1NC(=O)NC1CC(C)C
InChI:   InChI=1/C7H12N2O2/c1-4(2)3-5-6(10)9-7(11)8-5/h4-5H,3H2,1-2H3,(H2,8,9,10,11)/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=-5.19864 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.185 g/mol  logS: -1.6999  SlogP: 0.2405  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.206628  Sterimol/B1: 2.20541  Sterimol/B2: 3.42654  Sterimol/B3: 4.23071
  Sterimol/B4: 4.43369  Sterimol/L: 10.2074 
 
 Surface and Volume Properties
  Accessible surface: 342.015  Positive charged surface: 218.995  Negative charged surface: 123.019  Volume: 149.125
  Hydrophobic surface: 140.783  Hydrophilic surface: 201.232
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.