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PUBCHEM-ZINC01912793

 MMsINC code: MMs02829620
Type: Neutral
Formula: C19H24N2O3
SMILES:   O=C1NC(=O)N(COCC=C)C(Cc2cc(cc(c2)C)C)=C1CC
InChI:   InChI=1/C19H24N2O3/c1-5-7-24-12-21-17(16(6-2)18(22)20-19(21)23)11-15-9-13(3)8-14(4)10-15/h5,8-10H,1,6-7,11-12H2,2-4H3,(H,20,22,23)

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Potential Energy
Epot(MMFF94)=55.2547 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.412 g/mol  logS: -4.25961  SlogP: 3.22191  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.207565  Sterimol/B1: 2.14892  Sterimol/B2: 2.30604  Sterimol/B3: 6.33111
  Sterimol/B4: 9.02984  Sterimol/L: 14.7823 
 
 Surface and Volume Properties
  Accessible surface: 588.047  Positive charged surface: 354.195  Negative charged surface: 233.852  Volume: 329.125
  Hydrophobic surface: 383.698  Hydrophilic surface: 204.349
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.