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NCID-ZINC05462541

 MMsINC code: MMs02464258
Type: Neutral
Formula: C12H20N2O2
SMILES:   O=C1N(C2CCCCCCC2)C(=O)NC1C
InChI:   InChI=1/C12H20N2O2/c1-9-11(15)14(12(16)13-9)10-7-5-3-2-4-6-8-10/h9-10H,2-8H2,1H3,(H,13,16)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=60.8284 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.304 g/mol  logS: -2.86328  SlogP: 2.0396  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.187348  Sterimol/B1: 2.86416  Sterimol/B2: 3.55405  Sterimol/B3: 4.14147
  Sterimol/B4: 4.92878  Sterimol/L: 12.3487 
 
 Surface and Volume Properties
  Accessible surface: 425.286  Positive charged surface: 298.928  Negative charged surface: 126.358  Volume: 221.375
  Hydrophobic surface: 309.439  Hydrophilic surface: 115.847
 
 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.