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CHEMDIV-ZINC06819826

 MMsINC code: MMs01043302
Type: Neutral
Formula: C23H25N3O2
SMILES:   O1Cc2c(n(nc2)CC(=O)N(CC)c2ccccc2CC)-c2cc(ccc12)C
InChI:   InChI=1/C23H25N3O2/c1-4-17-8-6-7-9-20(17)25(5-2)22(27)14-26-23-18(13-24-26)15-28-21-11-10-16(3)12-19(21)23/h6-13H,4-5,14-15H2,1-3H3

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Potential Energy
Epot(MMFF94)=121.343 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.472 g/mol  logS: -5.65015  SlogP: 4.89919  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.174685  Sterimol/B1: 3.60739  Sterimol/B2: 4.20283  Sterimol/B3: 5.03912
  Sterimol/B4: 8.4126  Sterimol/L: 14.6233 
 
 Surface and Volume Properties
  Accessible surface: 606.977  Positive charged surface: 394.844  Negative charged surface: 212.133  Volume: 378.75
  Hydrophobic surface: 516.209  Hydrophilic surface: 90.768
 
 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: 1
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Ions/Tautomers related molecules: no related molecules available.