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CHEMDIV-ZINC06893189

 MMsINC code: MMs01054799
Type: Neutral
Formula: C23H24N2O4
SMILES:   o1cccc1CN(C(=O)c1noc-2c1COc1c-2cc(cc1)C)C1CCCCC1
InChI:   InChI=1/C23H24N2O4/c1-15-9-10-20-18(12-15)22-19(14-28-20)21(24-29-22)23(26)25(13-17-8-5-11-27-17)16-6-3-2-4-7-16/h5,8-12,16H,2-4,6-7,13-14H2,1H3

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Potential Energy
Epot(MMFF94)=115.365 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.455 g/mol  logS: -6.25678  SlogP: 5.64332  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0678171  Sterimol/B1: 2.91127  Sterimol/B2: 4.40721  Sterimol/B3: 4.99296
  Sterimol/B4: 6.09196  Sterimol/L: 17.6896 
 
 Surface and Volume Properties
  Accessible surface: 644.731  Positive charged surface: 427.647  Negative charged surface: 217.084  Volume: 373.125
  Hydrophobic surface: 592.788  Hydrophilic surface: 51.943
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.