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PUBCHEM-ZINC02494408

 MMsINC code: MMs02889527
Type: Neutral
Formula: C17H24N2O
SMILES:   O(CCCCn1ccnc1)c1ccc(cc1)C(C)(C)C
InChI:   InChI=1/C17H24N2O/c1-17(2,3)15-6-8-16(9-7-15)20-13-5-4-11-19-12-10-18-14-19/h6-10,12,14H,4-5,11,13H2,1-3H3

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Potential Energy
Epot(MMFF94)=60.6275 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.392 g/mol  logS: -4.15095  SlogP: 4.3062  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0388183  Sterimol/B1: 2.34002  Sterimol/B2: 3.90119  Sterimol/B3: 4.49242
  Sterimol/B4: 5.00668  Sterimol/L: 18.1641 
 
 Surface and Volume Properties
  Accessible surface: 572.419  Positive charged surface: 416.227  Negative charged surface: 156.192  Volume: 295.875
  Hydrophobic surface: 476.746  Hydrophilic surface: 95.673
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.