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ANALYTICONDISCOVERY-ZINC05415510

 MMsINC code: MMs00037290
Type: Neutral
Formula: C16H31N3O3
SMILES:   O(CCNC(=O)CC1CCN(CC1CC)C(=O)NC(C)C)C
InChI:   InChI=1/C16H31N3O3/c1-5-13-11-19(16(21)18-12(2)3)8-6-14(13)10-15(20)17-7-9-22-4/h12-14H,5-11H2,1-4H3,(H,17,20)(H,18,21)/t13-,14-/m0/s1

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Potential Energy
Epot(MMFF94)=28.2531 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 313.442 g/mol  logS: -1.69559  SlogP: 1.6052  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0667899  Sterimol/B1: 2.3231  Sterimol/B2: 3.02512  Sterimol/B3: 4.9821
  Sterimol/B4: 7.72667  Sterimol/L: 18.8035 
 
 Surface and Volume Properties
  Accessible surface: 614.23  Positive charged surface: 502.503  Negative charged surface: 111.727  Volume: 328.125
  Hydrophobic surface: 481.92  Hydrophilic surface: 132.31
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.