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CHEMBRIDGE-ZINC02838685

 MMsINC code: MMs00723547
Type: Neutral
Formula: C11H20N2O2
SMILES:   O=C(NC1CCCC1)C(=O)NC(CC)C
InChI:   InChI=1/C11H20N2O2/c1-3-8(2)12-10(14)11(15)13-9-6-4-5-7-9/h8-9H,3-7H2,1-2H3,(H,12,14)(H,13,15)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=30.4552 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.293 g/mol  logS: -1.74779  SlogP: 0.9599  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0670119  Sterimol/B1: 1.9908  Sterimol/B2: 3.38288  Sterimol/B3: 3.42104
  Sterimol/B4: 5.72563  Sterimol/L: 14.3537 
 
 Surface and Volume Properties
  Accessible surface: 465.082  Positive charged surface: 337.233  Negative charged surface: 127.849  Volume: 223.25
  Hydrophobic surface: 341.586  Hydrophilic surface: 123.496
 
 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.