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ENAMINE-ZINC04206305

 MMsINC code: MMs01534120
Type: Neutral
Formula: C6H14N2O
SMILES:   O=C(NC(C)C)CNC
InChI:   InChI=1/C6H14N2O/c1-5(2)8-6(9)4-7-3/h5,7H,4H2,1-3H3,(H,8,9)

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Potential Energy
Epot(MMFF94)=22.318 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 130.191 g/mol  logS: -0.18447  SlogP: -0.2696  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0761157  Sterimol/B1: 2.3745  Sterimol/B2: 2.72472  Sterimol/B3: 3.11619
  Sterimol/B4: 4.64821  Sterimol/L: 11.8995 
 
 Surface and Volume Properties
  Accessible surface: 351.135  Positive charged surface: 282.155  Negative charged surface: 68.9802  Volume: 142.75
  Hydrophobic surface: 241.162  Hydrophilic surface: 109.973
 
 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.