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ENAMINE-ZINC04950655

 MMsINC code: MMs01569693
Type: Neutral
Formula: C9H14ClN2OP
SMILES:   ClCP(=O)(Nc1ccccc1)N(C)C
InChI:   InChI=1/C9H14ClN2OP/c1-12(2)14(13,8-10)11-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,11,13)/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=49.9156 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.651 g/mol  logS: -0.86706  SlogP: 1.9793  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.087785  Sterimol/B1: 2.73842  Sterimol/B2: 3.28455  Sterimol/B3: 4.47263
  Sterimol/B4: 5.23826  Sterimol/L: 12.693 
 
 Surface and Volume Properties
  Accessible surface: 410.133  Positive charged surface: 246.436  Negative charged surface: 163.697  Volume: 209.75
  Hydrophobic surface: 316.138  Hydrophilic surface: 93.995
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.