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COMGENEX-ZINC05091572

 MMsINC code: MMs01173729
Type: Neutral
Formula: C16H26N2O3
SMILES:   o1cc(cc1)C(=O)N(CCC(C)C)CCC(=O)NCCC
InChI:   InChI=1/C16H26N2O3/c1-4-8-17-15(19)6-10-18(9-5-13(2)3)16(20)14-7-11-21-12-14/h7,11-13H,4-6,8-10H2,1-3H3,(H,17,19)

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Potential Energy
Epot(MMFF94)=73.0091 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.395 g/mol  logS: -3.16656  SlogP: 2.6842  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0552146  Sterimol/B1: 2.70585  Sterimol/B2: 3.3751  Sterimol/B3: 3.61916
  Sterimol/B4: 8.98712  Sterimol/L: 16.9293 
 
 Surface and Volume Properties
  Accessible surface: 588.376  Positive charged surface: 385.284  Negative charged surface: 203.092  Volume: 306.375
  Hydrophobic surface: 440.363  Hydrophilic surface: 148.013
 
 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.