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COMGENEX-ZINC06682735

 MMsINC code: MMs01180881
Type: Neutral
Formula: C16H24N2O3
SMILES:   o1cc(cc1)C(=O)N1CC(CCC1)C(=O)NCCCCC
InChI:   InChI=1/C16H24N2O3/c1-2-3-4-8-17-15(19)13-6-5-9-18(11-13)16(20)14-7-10-21-12-14/h7,10,12-13H,2-6,8-9,11H2,1H3,(H,17,19)/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=39.1401 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.379 g/mol  logS: -3.06452  SlogP: 2.4382  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0279165  Sterimol/B1: 2.80795  Sterimol/B2: 3.31607  Sterimol/B3: 3.99708
  Sterimol/B4: 5.54852  Sterimol/L: 19.0619 
 
 Surface and Volume Properties
  Accessible surface: 572.897  Positive charged surface: 385.05  Negative charged surface: 187.847  Volume: 296.5
  Hydrophobic surface: 463.692  Hydrophilic surface: 109.205
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.