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ENAMINE-ZINC03359843

 MMsINC code: MMs01395229
Type: Neutral
Formula: C23H24N2O3
SMILES:   o1nc(C)c(COc2ccc(cc2)C(=O)NC2CCCc3c2cccc3)c1C
InChI:   InChI=1/C23H24N2O3/c1-15-21(16(2)28-25-15)14-27-19-12-10-18(11-13-19)23(26)24-22-9-5-7-17-6-3-4-8-20(17)22/h3-4,6,8,10-13,22H,5,7,9,14H2,1-2H3,(H,24,26)/t22-/m1/s1

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Potential Energy
Epot(MMFF94)=97.8017 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.456 g/mol  logS: -5.29118  SlogP: 5.03971  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0585625  Sterimol/B1: 2.22596  Sterimol/B2: 3.94063  Sterimol/B3: 4.46408
  Sterimol/B4: 7.56883  Sterimol/L: 18.9501 
 
 Surface and Volume Properties
  Accessible surface: 664.469  Positive charged surface: 389.564  Negative charged surface: 274.905  Volume: 366.5
  Hydrophobic surface: 600.923  Hydrophilic surface: 63.546
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.