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PUBCHEM-ZINC02043386

 MMsINC code: MMs02864030
Type: Neutral
Formula: C7H16N2O2
SMILES:   O(NCC(=O)N)CCCCC
InChI:   InChI=1/C7H16N2O2/c1-2-3-4-5-11-9-6-7(8)10/h9H,2-6H2,1H3,(H2,8,10)

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Potential Energy
Epot(MMFF94)=26.1094 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 160.217 g/mol  logS: -1.26845  SlogP: 0.1831  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0254288  Sterimol/B1: 2.46018  Sterimol/B2: 2.48253  Sterimol/B3: 3.01737
  Sterimol/B4: 3.12753  Sterimol/L: 15.5225 
 
 Surface and Volume Properties
  Accessible surface: 411.355  Positive charged surface: 319.175  Negative charged surface: 92.1797  Volume: 168.375
  Hydrophobic surface: 255.207  Hydrophilic surface: 156.148
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.