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CHEMDIV-ZINC04592995

 MMsINC code: MMs00938674
Type: Neutral
Formula: C23H24N2O3
SMILES:   O=C1N(C(=O)C2C1CC(CC2)C)c1cc(ccc1)C(=O)Nc1ccccc1C
InChI:   InChI=1/C23H24N2O3/c1-14-10-11-18-19(12-14)23(28)25(22(18)27)17-8-5-7-16(13-17)21(26)24-20-9-4-3-6-15(20)2/h3-9,13-14,18-19H,10-12H2,1-2H3,(H,24,26)/t14-,18-,19+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=100.067 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.456 g/mol  logS: -5.75859  SlogP: 4.17292  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0309594  Sterimol/B1: 3.5209  Sterimol/B2: 3.82362  Sterimol/B3: 3.88973
  Sterimol/B4: 6.7458  Sterimol/L: 19.3377 
 
 Surface and Volume Properties
  Accessible surface: 637.086  Positive charged surface: 390.249  Negative charged surface: 246.837  Volume: 365.5
  Hydrophobic surface: 534.572  Hydrophilic surface: 102.514
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.