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CHEMBRIDGE-ZINC00311949

 MMsINC code: MMs00606625
Type: Neutral
Formula: C15H20N2O
SMILES:   O(CCn1ccnc1)c1ccccc1C(CC)C
InChI:   InChI=1/C15H20N2O/c1-3-13(2)14-6-4-5-7-15(14)18-11-10-17-9-8-16-12-17/h4-9,12-13H,3,10-11H2,1-2H3/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=48.8263 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.338 g/mol  logS: -3.43396  SlogP: 3.742  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0909279  Sterimol/B1: 2.12864  Sterimol/B2: 2.66324  Sterimol/B3: 4.6593
  Sterimol/B4: 8.29035  Sterimol/L: 14.1812 
 
 Surface and Volume Properties
  Accessible surface: 518.74  Positive charged surface: 372.892  Negative charged surface: 145.848  Volume: 264
  Hydrophobic surface: 438.927  Hydrophilic surface: 79.813
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.