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CHEMBRIDGE-ZINC02085669

 MMsINC code: MMs00701983
Type: Neutral
Formula: C19H34N2O2
SMILES:   O=C(NCC(CNC(=O)C1CCCCC1)(C)C)C1CCCCC1
InChI:   InChI=1/C19H34N2O2/c1-19(2,13-20-17(22)15-9-5-3-6-10-15)14-21-18(23)16-11-7-4-8-12-16/h15-16H,3-14H2,1-2H3,(H,20,22)(H,21,23)

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Potential Energy
Epot(MMFF94)=28.7022 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.493 g/mol  logS: -4.25003  SlogP: 3.4056  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0387345  Sterimol/B1: 2.37073  Sterimol/B2: 3.2667  Sterimol/B3: 4.4383
  Sterimol/B4: 4.85848  Sterimol/L: 19.7112 
 
 Surface and Volume Properties
  Accessible surface: 623.029  Positive charged surface: 474.244  Negative charged surface: 148.785  Volume: 346.75
  Hydrophobic surface: 529.586  Hydrophilic surface: 93.443
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.