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COMGENEX-ZINC04929589

 MMsINC code: MMs01170836
Type: Neutral
Formula: C16H24N2O3
SMILES:   o1cc(cc1)C(=O)N(CCC(=O)NCCC(C)C)C1CC1
InChI:   InChI=1/C16H24N2O3/c1-12(2)5-8-17-15(19)6-9-18(14-3-4-14)16(20)13-7-10-21-11-13/h7,10-12,14H,3-6,8-9H2,1-2H3,(H,17,19)

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Potential Energy
Epot(MMFF94)=110.225 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.379 g/mol  logS: -3.18996  SlogP: 2.4366  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0502473  Sterimol/B1: 2.37647  Sterimol/B2: 4.20441  Sterimol/B3: 4.51329
  Sterimol/B4: 7.24642  Sterimol/L: 16.4348 
 
 Surface and Volume Properties
  Accessible surface: 570.266  Positive charged surface: 363.023  Negative charged surface: 207.243  Volume: 297.375
  Hydrophobic surface: 413.625  Hydrophilic surface: 156.641
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.