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ENAMINE-ZINC02651930

 MMsINC code: MMs01276025
Type: Neutral
Formula: C8H16N2O
SMILES:   O=C(NC1CCCCC1C)N
InChI:   InChI=1/C8H16N2O/c1-6-4-2-3-5-7(6)10-8(9)11/h6-7H,2-5H2,1H3,(H3,9,10,11)/t6-,7-/m0/s1

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Potential Energy
Epot(MMFF94)=-19.8643 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.229 g/mol  logS: -1.38323  SlogP: 1.2334  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.136229  Sterimol/B1: 2.30266  Sterimol/B2: 2.91122  Sterimol/B3: 3.08765
  Sterimol/B4: 6.42575  Sterimol/L: 11.0818 
 
 Surface and Volume Properties
  Accessible surface: 358.398  Positive charged surface: 271.516  Negative charged surface: 86.8824  Volume: 165.625
  Hydrophobic surface: 219.978  Hydrophilic surface: 138.42
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.