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ENAMINE-ZINC03330970

 MMsINC code: MMs01376641
Type: Neutral
Formula: C16H30N2O2
SMILES:   O1C(CN(CC1C)CC(=O)NC1CCCCCCC1)C
InChI:   InChI=1/C16H30N2O2/c1-13-10-18(11-14(2)20-13)12-16(19)17-15-8-6-4-3-5-7-9-15/h13-15H,3-12H2,1-2H3,(H,17,19)/t13-,14+

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Potential Energy
Epot(MMFF94)=125.934 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.428 g/mol  logS: -3.10848  SlogP: 2.3247  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.087196  Sterimol/B1: 2.62202  Sterimol/B2: 3.64249  Sterimol/B3: 4.50894
  Sterimol/B4: 6.18915  Sterimol/L: 15.7075 
 
 Surface and Volume Properties
  Accessible surface: 560.598  Positive charged surface: 441.548  Negative charged surface: 119.05  Volume: 299.125
  Hydrophobic surface: 473.231  Hydrophilic surface: 87.367
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.