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PUBCHEM-ZINC06274443

 MMsINC code: MMs03653101
Type: Neutral
Formula: C19H32N2O2
SMILES:   O=C1N(CC(C1)C(=O)N(CC)C1CCCCC1)C1CCCCC1
InChI:   InChI=1/C19H32N2O2/c1-2-20(16-9-5-3-6-10-16)19(23)15-13-18(22)21(14-15)17-11-7-4-8-12-17/h15-17H,2-14H2,1H3/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=29.5276 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.477 g/mol  logS: -2.78043  SlogP: 3.3488  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0804356  Sterimol/B1: 2.49258  Sterimol/B2: 3.42961  Sterimol/B3: 4.23265
  Sterimol/B4: 6.96596  Sterimol/L: 16.5959 
 
 Surface and Volume Properties
  Accessible surface: 578.151  Positive charged surface: 452.211  Negative charged surface: 125.94  Volume: 337
  Hydrophobic surface: 516.502  Hydrophilic surface: 61.649
 
 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.