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PUBCHEM-ZINC03178380

 MMsINC code: MMs03005594
Type: Neutral
Formula: C10H20N2O3
SMILES:   O(C(=O)CCCCCNC(=O)N)CCC
InChI:   InChI=1/C10H20N2O3/c1-2-8-15-9(13)6-4-3-5-7-12-10(11)14/h2-8H2,1H3,(H3,11,12,14)

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Potential Energy
Epot(MMFF94)=-24.8374 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.281 g/mol  logS: -1.1347  SlogP: 1.1683  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0157791  Sterimol/B1: 2.37477  Sterimol/B2: 2.37594  Sterimol/B3: 2.66639
  Sterimol/B4: 3.50187  Sterimol/L: 19.1891 
 
 Surface and Volume Properties
  Accessible surface: 499.974  Positive charged surface: 384.473  Negative charged surface: 115.501  Volume: 220.875
  Hydrophobic surface: 305.077  Hydrophilic surface: 194.897
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.