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COMGENEX-ZINC06682469

 MMsINC code: MMs01180613
Type: Neutral
Formula: C16H26N2O3
SMILES:   o1cc(cc1)C(=O)N(C(C)C)CCC(=O)NCCCCC
InChI:   InChI=1/C16H26N2O3/c1-4-5-6-9-17-15(19)7-10-18(13(2)3)16(20)14-8-11-21-12-14/h8,11-13H,4-7,9-10H2,1-3H3,(H,17,19)

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Potential Energy
Epot(MMFF94)=76.9711 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.395 g/mol  logS: -3.292  SlogP: 2.8267  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0472521  Sterimol/B1: 3.42643  Sterimol/B2: 3.5853  Sterimol/B3: 4.41018
  Sterimol/B4: 6.77367  Sterimol/L: 17.4999 
 
 Surface and Volume Properties
  Accessible surface: 588.616  Positive charged surface: 389.959  Negative charged surface: 198.657  Volume: 305.875
  Hydrophobic surface: 448.407  Hydrophilic surface: 140.209
 
 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.