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PUBCHEM-ZINC02052934

 MMsINC code: MMs02866791
Type: Neutral
Formula: C25H25NO2
SMILES:   O(N\C(=C/CCCC)\c1ccccc1)C(=O)c1ccc(cc1)-c1ccccc1
InChI:   InChI=1/C25H25NO2/c1-2-3-6-15-24(22-13-9-5-10-14-22)26-28-25(27)23-18-16-21(17-19-23)20-11-7-4-8-12-20/h4-5,7-19,26H,2-3,6H2,1H3/b24-15-

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Potential Energy
Epot(MMFF94)=142.388 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.48 g/mol  logS: -7.78257  SlogP: 6.2463  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0143045  Sterimol/B1: 2.4933  Sterimol/B2: 2.50454  Sterimol/B3: 4.31305
  Sterimol/B4: 9.53436  Sterimol/L: 20.9592 
 
 Surface and Volume Properties
  Accessible surface: 700.219  Positive charged surface: 383.042  Negative charged surface: 305.104  Volume: 387.875
  Hydrophobic surface: 621.894  Hydrophilic surface: 78.325
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.