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ENAMINE-ZINC03012470

 MMsINC code: MMs01288952
Type: Neutral
Formula: C8H13N2O2P
SMILES:   P(Oc1c(cccc1C)C)(=O)(N)N
InChI:   InChI=1/C8H13N2O2P/c1-6-4-3-5-7(2)8(6)12-13(9,10)11/h3-5H,1-2H3,(H4,9,10,11)

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Potential Energy
Epot(MMFF94)=-18.7747 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.178 g/mol  logS: -1.55168  SlogP: 0.63754  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.154941  Sterimol/B1: 2.3006  Sterimol/B2: 2.5064  Sterimol/B3: 4.22465
  Sterimol/B4: 7.14947  Sterimol/L: 10.9958 
 
 Surface and Volume Properties
  Accessible surface: 377.666  Positive charged surface: 238.604  Negative charged surface: 139.062  Volume: 182.25
  Hydrophobic surface: 239.1  Hydrophilic surface: 138.566
 
 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.