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ACROSORGANICS-ZINC01615894

 MMsINC code: MMs00009912
Type: Neutral
Formula: C10H20N2O2
SMILES:   O=C(NCCCCCCNC(=O)C)C
InChI:   InChI=1/C10H20N2O2/c1-9(13)11-7-5-3-4-6-8-12-10(2)14/h3-8H2,1-2H3,(H,11,13)(H,12,14)

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Potential Energy
Epot(MMFF94)=-1.66363 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.282 g/mol  logS: -0.75748  SlogP: 0.819  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0187709  Sterimol/B1: 2.37507  Sterimol/B2: 2.37558  Sterimol/B3: 3.08279
  Sterimol/B4: 3.75869  Sterimol/L: 18.0104 
 
 Surface and Volume Properties
  Accessible surface: 477.326  Positive charged surface: 351.428  Negative charged surface: 125.897  Volume: 216.375
  Hydrophobic surface: 365.089  Hydrophilic surface: 112.237
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.