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NCID-ZINC01621229

 MMsINC code: MMs02269176
Type: Neutral
Formula: C10H20N2O3
SMILES:   OC(=O)C(NCCCCCC)CC(=O)N
InChI:   InChI=1/C10H20N2O3/c1-2-3-4-5-6-12-8(10(14)15)7-9(11)13/h8,12H,2-7H2,1H3,(H2,11,13)(H,14,15)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=13.8523 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.281 g/mol  logS: -1.58844  SlogP: 0.4849  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0405011  Sterimol/B1: 2.64463  Sterimol/B2: 3.19644  Sterimol/B3: 4.27459
  Sterimol/B4: 5.45258  Sterimol/L: 15.0872 
 
 Surface and Volume Properties
  Accessible surface: 474.415  Positive charged surface: 353.588  Negative charged surface: 120.827  Volume: 220.375
  Hydrophobic surface: 256.332  Hydrophilic surface: 218.083
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.