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CHEMBRIDGE-ZINC02906429

 MMsINC code: MMs00740390
Type: Neutral
Formula: C19H23NO5
SMILES:   O(CCCCCCOc1ccc(OC)cc1)c1ccc([N+](=O)[O-])cc1
InChI:   InChI=1/C19H23NO5/c1-23-17-10-12-19(13-11-17)25-15-5-3-2-4-14-24-18-8-6-16(7-9-18)20(21)22/h6-13H,2-5,14-15H2,1H3

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Potential Energy
Epot(MMFF94)=89.9421 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.395 g/mol  logS: -4.92767  SlogP: 4.6216  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0061219  Sterimol/B1: 2.37516  Sterimol/B2: 2.3792  Sterimol/B3: 2.69099
  Sterimol/B4: 6.03985  Sterimol/L: 24.429 
 
 Surface and Volume Properties
  Accessible surface: 670.25  Positive charged surface: 419.893  Negative charged surface: 250.357  Volume: 333.875
  Hydrophobic surface: 564.679  Hydrophilic surface: 105.571
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0
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Ions/Tautomers related molecules: no related molecules available.