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PUBCHEM-ZINC06051282

 MMsINC code: MMs03515808
Type: Neutral
Formula: C19H34N2O2
SMILES:   O=C1N(CC(C1)C(=O)NCC(CCCC)CC)C1CCCCC1
InChI:   InChI=1/C19H34N2O2/c1-3-5-9-15(4-2)13-20-19(23)16-12-18(22)21(14-16)17-10-7-6-8-11-17/h15-17H,3-14H2,1-2H3,(H,20,23)/t15-,16-/m1/s1

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Potential Energy
Epot(MMFF94)=25.5788 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.493 g/mol  logS: -3.8797  SlogP: 3.5002  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0499062  Sterimol/B1: 3.02759  Sterimol/B2: 3.2674  Sterimol/B3: 4.20932
  Sterimol/B4: 6.08233  Sterimol/L: 19.4841 
 
 Surface and Volume Properties
  Accessible surface: 638.299  Positive charged surface: 488.997  Negative charged surface: 149.302  Volume: 350.75
  Hydrophobic surface: 540.064  Hydrophilic surface: 98.235
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.