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PUBCHEM-ZINC06187830

 MMsINC code: MMs03589013
Type: Neutral
Formula: C11H18N4O
SMILES:   O=C(NC1CCCCC1)Nc1n[nH]c(c1)C
InChI:   InChI=1/C11H18N4O/c1-8-7-10(15-14-8)13-11(16)12-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H3,12,13,14,15,16)

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Potential Energy
Epot(MMFF94)=-3.6179 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.292 g/mol  logS: -1.96002  SlogP: 2.17232  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0505827  Sterimol/B1: 2.20591  Sterimol/B2: 2.89507  Sterimol/B3: 3.72002
  Sterimol/B4: 5.19786  Sterimol/L: 14.8325 
 
 Surface and Volume Properties
  Accessible surface: 460.824  Positive charged surface: 338.132  Negative charged surface: 122.692  Volume: 222.375
  Hydrophobic surface: 319.883  Hydrophilic surface: 140.941
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.