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VITASM-ZINC02734798

 MMsINC code: MMs03951312
Type: Neutral
Formula: C15H26N2O2
SMILES:   O=C(N1CCCC1)C1CCCN(C1)C(=O)CC(C)C
InChI:   InChI=1/C15H26N2O2/c1-12(2)10-14(18)17-9-5-6-13(11-17)15(19)16-7-3-4-8-16/h12-13H,3-11H2,1-2H3/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=31.165 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.385 g/mol  logS: -1.82451  SlogP: 1.8935  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0864844  Sterimol/B1: 3.31575  Sterimol/B2: 3.95942  Sterimol/B3: 4.23861
  Sterimol/B4: 5.03208  Sterimol/L: 16.3028 
 
 Surface and Volume Properties
  Accessible surface: 530.886  Positive charged surface: 417.622  Negative charged surface: 113.264  Volume: 280.5
  Hydrophobic surface: 441.182  Hydrophilic surface: 89.704
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.