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PUBCHEM-ZINC06203636

 MMsINC code: MMs03611208
Type: Neutral
Formula: C16H32N2O3
SMILES:   O(C(=O)C(NC(=O)N(CCCC)CCCC)CC(C)C)C
InChI:   InChI=1/C16H32N2O3/c1-6-8-10-18(11-9-7-2)16(20)17-14(12-13(3)4)15(19)21-5/h13-14H,6-12H2,1-5H3,(H,17,20)/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=18.9538 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.443 g/mol  logS: -3.55433  SlogP: 3.1859  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0773185  Sterimol/B1: 2.15707  Sterimol/B2: 3.12747  Sterimol/B3: 3.8877
  Sterimol/B4: 11.0213  Sterimol/L: 14.6053 
 
 Surface and Volume Properties
  Accessible surface: 628.037  Positive charged surface: 491.977  Negative charged surface: 136.059  Volume: 328.125
  Hydrophobic surface: 497.726  Hydrophilic surface: 130.311
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.