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ASINEX-ZINC01379341

 MMsINC code: MMs00251992
Type: Neutral
Formula: C16H29N3O2
SMILES:   O=C(NCC(C)C)C1N(CCC1)C(=O)NC1CCCCC1
InChI:   InChI=1/C16H29N3O2/c1-12(2)11-17-15(20)14-9-6-10-19(14)16(21)18-13-7-4-3-5-8-13/h12-14H,3-11H2,1-2H3,(H,17,20)(H,18,21)/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=26.2165 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.427 g/mol  logS: -2.42518  SlogP: 2.2653  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0736269  Sterimol/B1: 2.3635  Sterimol/B2: 2.74252  Sterimol/B3: 4.20029
  Sterimol/B4: 8.83386  Sterimol/L: 15.912 
 
 Surface and Volume Properties
  Accessible surface: 591.429  Positive charged surface: 467.14  Negative charged surface: 124.289  Volume: 309.875
  Hydrophobic surface: 499.398  Hydrophilic surface: 92.031
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.