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PUBCHEM-ZINC01734774

 MMsINC code: MMs02819523
Type: Neutral
Formula: C20H22N2O
SMILES:   OC(Cc1nccn1Cc1ccccc1)(C)c1ccc(cc1)C
InChI:   InChI=1/C20H22N2O/c1-16-8-10-18(11-9-16)20(2,23)14-19-21-12-13-22(19)15-17-6-4-3-5-7-17/h3-13,23H,14-15H2,1-2H3/t20-/m0/s1

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Potential Energy
Epot(MMFF94)=84.9641 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.409 g/mol  logS: -3.88435  SlogP: 4.26789  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0976192  Sterimol/B1: 3.36736  Sterimol/B2: 3.57723  Sterimol/B3: 3.87817
  Sterimol/B4: 7.16614  Sterimol/L: 15.5455 
 
 Surface and Volume Properties
  Accessible surface: 564.704  Positive charged surface: 348.31  Negative charged surface: 216.394  Volume: 320.75
  Hydrophobic surface: 495.166  Hydrophilic surface: 69.538
 
 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.