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CHEMDIV-ZINC02492605

 MMsINC code: MMs00881378
Type: Neutral
Formula: C6H10N2O3
SMILES:   O=C1N(CO)C(=O)NC1(C)C
InChI:   InChI=1/C6H10N2O3/c1-6(2)4(10)8(3-9)5(11)7-6/h9H,3H2,1-2H3,(H,7,11)

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Potential Energy
Epot(MMFF94)=-9.67193 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 158.157 g/mol  logS: -0.19187  SlogP: -0.7334  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.232441  Sterimol/B1: 2.36075  Sterimol/B2: 3.67265  Sterimol/B3: 4.09976
  Sterimol/B4: 4.8004  Sterimol/L: 9.92153 
 
 Surface and Volume Properties
  Accessible surface: 333.715  Positive charged surface: 216.277  Negative charged surface: 117.437  Volume: 141.125
  Hydrophobic surface: 131.165  Hydrophilic surface: 202.55
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.