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PUBCHEM-ZINC06885013

 MMsINC code: MMs03889382
Type: Neutral
Formula: C15H16N2O2
SMILES:   O1C(=N\C(=C/N2CCCCC2)\C1=O)c1ccccc1
InChI:   InChI=1/C15H16N2O2/c18-15-13(11-17-9-5-2-6-10-17)16-14(19-15)12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2/b13-11+

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Potential Energy
Epot(MMFF94)=87.3255 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.305 g/mol  logS: -3.7079  SlogP: 2.3173  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0369896  Sterimol/B1: 3.25785  Sterimol/B2: 3.51312  Sterimol/B3: 3.65659
  Sterimol/B4: 3.76323  Sterimol/L: 16.2544 
 
 Surface and Volume Properties
  Accessible surface: 489.347  Positive charged surface: 326.147  Negative charged surface: 163.2  Volume: 250.5
  Hydrophobic surface: 412.976  Hydrophilic surface: 76.371
 
 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.