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PUBCHEM-ZINC04534970

 MMsINC code: MMs03131032
Type: Neutral
Formula: C22H23NO2
SMILES:   O=C1N(C2CCCCCCC2)C(=O)c2c3c1ccc1CCc(c13)cc2
InChI:   InChI=1/C22H23NO2/c24-21-17-12-10-14-8-9-15-11-13-18(20(17)19(14)15)22(25)23(21)16-6-4-2-1-3-5-7-16/h10-13,16H,1-9H2

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Potential Energy
Epot(MMFF94)=135.463 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.431 g/mol  logS: -7.15999  SlogP: 4.64724  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0717853  Sterimol/B1: 2.47241  Sterimol/B2: 3.91867  Sterimol/B3: 4.23467
  Sterimol/B4: 7.18571  Sterimol/L: 15.1916 
 
 Surface and Volume Properties
  Accessible surface: 549.406  Positive charged surface: 355.166  Negative charged surface: 183.169  Volume: 323.5
  Hydrophobic surface: 505.464  Hydrophilic surface: 43.942
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.