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PUBCHEM-ZINC03628544

 MMsINC code: MMs03026690
Type: Neutral
Formula: C10H20N2O3
SMILES:   OC(=O)CC(NCC)C(=O)N(CC)CC
InChI:   InChI=1/C10H20N2O3/c1-4-11-8(7-9(13)14)10(15)12(5-2)6-3/h8,11H,4-7H2,1-3H3,(H,13,14)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=48.842 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.281 g/mol  logS: -0.28345  SlogP: 0.3076  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117231  Sterimol/B1: 2.24724  Sterimol/B2: 2.86036  Sterimol/B3: 3.34113
  Sterimol/B4: 7.07286  Sterimol/L: 11.2085 
 
 Surface and Volume Properties
  Accessible surface: 442.16  Positive charged surface: 308.515  Negative charged surface: 133.645  Volume: 220.375
  Hydrophobic surface: 254.352  Hydrophilic surface: 187.808
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.