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ENAMINE-ZINC06585227

 MMsINC code: MMs01677937
Type: Neutral
Formula: C12H21N3O2
SMILES:   O=C(NC1CC1)CNC(=O)NC1CCCCC1
InChI:   InChI=1/C12H21N3O2/c16-11(14-10-6-7-10)8-13-12(17)15-9-4-2-1-3-5-9/h9-10H,1-8H2,(H,14,16)(H2,13,15,17)

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Potential Energy
Epot(MMFF94)=2.37646 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.319 g/mol  logS: -1.80042  SlogP: 0.8969  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0329024  Sterimol/B1: 2.81813  Sterimol/B2: 3.37136  Sterimol/B3: 3.50963
  Sterimol/B4: 3.91853  Sterimol/L: 17.2218 
 
 Surface and Volume Properties
  Accessible surface: 513.279  Positive charged surface: 383.516  Negative charged surface: 129.764  Volume: 244.375
  Hydrophobic surface: 348.842  Hydrophilic surface: 164.437
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.