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NCID-ZINC05608241

 MMsINC code: MMs02480282
Type: Neutral
Formula: C10H20N2O
SMILES:   O=C(NC1CC(C)C(CC1)C)NC
InChI:   InChI=1/C10H20N2O/c1-7-4-5-9(6-8(7)2)12-10(13)11-3/h7-9H,4-6H2,1-3H3,(H2,11,12,13)/t7-,8-,9-/m0/s1

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Potential Energy
Epot(MMFF94)=-9.01532 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.283 g/mol  logS: -2.10591  SlogP: 1.7401  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0668708  Sterimol/B1: 2.77316  Sterimol/B2: 3.02066  Sterimol/B3: 3.33383
  Sterimol/B4: 5.23128  Sterimol/L: 13.6215 
 
 Surface and Volume Properties
  Accessible surface: 414.505  Positive charged surface: 338.827  Negative charged surface: 75.6776  Volume: 201.375
  Hydrophobic surface: 306.092  Hydrophilic surface: 108.413
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.