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PUBCHEM-ZINC02885599

 MMsINC code: MMs02953988
Type: Neutral
Formula: C19H28N2O
SMILES:   O(CCCCCCn1ccnc1)c1ccc(cc1)C(C)(C)C
InChI:   InChI=1/C19H28N2O/c1-19(2,3)17-8-10-18(11-9-17)22-15-7-5-4-6-13-21-14-12-20-16-21/h8-12,14,16H,4-7,13,15H2,1-3H3

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Potential Energy
Epot(MMFF94)=60.9469 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.446 g/mol  logS: -4.55449  SlogP: 5.0864  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0273948  Sterimol/B1: 2.34536  Sterimol/B2: 3.89711  Sterimol/B3: 4.55932
  Sterimol/B4: 4.99372  Sterimol/L: 20.6729 
 
 Surface and Volume Properties
  Accessible surface: 634.064  Positive charged surface: 470.534  Negative charged surface: 163.53  Volume: 332.625
  Hydrophobic surface: 538.39  Hydrophilic surface: 95.674
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.