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ENAMINE-ZINC03177078

 MMsINC code: MMs01296177
Type: Neutral
Formula: C9H14NO2P
SMILES:   P(Oc1c(cccc1C)C)(=O)(N)C
InChI:   InChI=1/C9H14NO2P/c1-7-5-4-6-8(2)9(7)12-13(3,10)11/h4-6H,1-3H3,(H2,10,11)/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=31.5503 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.19 g/mol  logS: -1.46576  SlogP: 1.39364  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.1591  Sterimol/B1: 2.23401  Sterimol/B2: 2.37504  Sterimol/B3: 4.25682
  Sterimol/B4: 6.79829  Sterimol/L: 10.7603 
 
 Surface and Volume Properties
  Accessible surface: 384.755  Positive charged surface: 227.789  Negative charged surface: 156.966  Volume: 189.25
  Hydrophobic surface: 272.652  Hydrophilic surface: 112.103
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.