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ASINEX-ZINC00611751

 MMsINC code: MMs00140709
Type: Neutral
Formula: C12H20N2O3
SMILES:   O1CCN(CC1)C(=O)NC(=O)C1CCCCC1
InChI:   InChI=1/C12H20N2O3/c15-11(10-4-2-1-3-5-10)13-12(16)14-6-8-17-9-7-14/h10H,1-9H2,(H,13,15,16)

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Potential Energy
Epot(MMFF94)=30.8911 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.303 g/mol  logS: -2.03165  SlogP: 1.1351  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0609034  Sterimol/B1: 2.8932  Sterimol/B2: 3.53273  Sterimol/B3: 3.64713
  Sterimol/B4: 4.39125  Sterimol/L: 14.6521 
 
 Surface and Volume Properties
  Accessible surface: 463.262  Positive charged surface: 373.385  Negative charged surface: 89.8779  Volume: 234.375
  Hydrophobic surface: 386.722  Hydrophilic surface: 76.54
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.