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ENAMINE-ZINC03195000

 MMsINC code: MMs01302628
Type: Neutral
Formula: C6H11N2O2P
SMILES:   P(O)(=O)(C)c1nccn1CC
InChI:   InChI=1/C6H11N2O2P/c1-3-8-5-4-7-6(8)11(2,9)10/h4-5H,3H2,1-2H3,(H,9,10)

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Potential Energy
Epot(MMFF94)=15.3157 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 174.14 g/mol  logS: -0.26268  SlogP: -0.3753  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153991  Sterimol/B1: 2.36122  Sterimol/B2: 2.38426  Sterimol/B3: 4.08784
  Sterimol/B4: 6.6441  Sterimol/L: 9.58698 
 
 Surface and Volume Properties
  Accessible surface: 350.838  Positive charged surface: 230.066  Negative charged surface: 120.773  Volume: 157.375
  Hydrophobic surface: 213.016  Hydrophilic surface: 137.822
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.