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NCID-ZINC01674059

 MMsINC code: MMs02309784
Type: Neutral
Formula: C10H20N2O
SMILES:   O=C(NC1CCC(CC1)CC)NC
InChI:   InChI=1/C10H20N2O/c1-3-8-4-6-9(7-5-8)12-10(13)11-2/h8-9H,3-7H2,1-2H3,(H2,11,12,13)/t8-,9+

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Potential Energy
Epot(MMFF94)=-12.0954 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.283 g/mol  logS: -2.10591  SlogP: 1.8842  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.149273  Sterimol/B1: 2.20337  Sterimol/B2: 3.44236  Sterimol/B3: 3.44326
  Sterimol/B4: 5.74457  Sterimol/L: 12.775 
 
 Surface and Volume Properties
  Accessible surface: 411.211  Positive charged surface: 335.907  Negative charged surface: 75.3041  Volume: 202.375
  Hydrophobic surface: 328.86  Hydrophilic surface: 82.351
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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.