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PUBCHEM-ZINC04202878

 MMsINC code: MMs03099138
Type: Neutral
Formula: C10H20N2O2
SMILES:   O(C(C)(C)C)C(=O)NC1NCCCC1
InChI:   InChI=1/C10H20N2O2/c1-10(2,3)14-9(13)12-8-6-4-5-7-11-8/h8,11H,4-7H2,1-3H3,(H,12,13)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=-12.8809 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.282 g/mol  logS: -1.22338  SlogP: 1.6107  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0813405  Sterimol/B1: 2.11758  Sterimol/B2: 2.80154  Sterimol/B3: 4.54222
  Sterimol/B4: 4.70908  Sterimol/L: 13.7082 
 
 Surface and Volume Properties
  Accessible surface: 438.119  Positive charged surface: 334.585  Negative charged surface: 103.534  Volume: 210.625
  Hydrophobic surface: 315.722  Hydrophilic surface: 122.397
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.