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APOLLO-ZINC01683662

 MMsINC code: MMs00049777
Type: Neutral
Formula: C4H8N2O2
SMILES:   O=C(NC(=O)NC)C
InChI:   InChI=1/C4H8N2O2/c1-3(7)6-4(8)5-2/h1-2H3,(H2,5,6,7,8)

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Potential Energy
Epot(MMFF94)=-10.2511 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 116.12 g/mol  logS: 0.001  SlogP: -0.5381  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0313186  Sterimol/B1: 2.37512  Sterimol/B2: 2.37528  Sterimol/B3: 2.67315
  Sterimol/B4: 3.57139  Sterimol/L: 10.6029 
 
 Surface and Volume Properties
  Accessible surface: 288.105  Positive charged surface: 212.971  Negative charged surface: 75.1334  Volume: 109.125
  Hydrophobic surface: 173.621  Hydrophilic surface: 114.484
 
 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.