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NCID-ZINC01584702

 MMsINC code: MMs02241284
Type: Neutral
Formula: C10H20N2O3
SMILES:   OC(=O)CCC(=O)NCCN(CC)CC
InChI:   InChI=1/C10H20N2O3/c1-3-12(4-2)8-7-11-9(13)5-6-10(14)15/h3-8H2,1-2H3,(H,11,13)(H,14,15)

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Potential Energy
Epot(MMFF94)=9.28893 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.281 g/mol  logS: -0.0751  SlogP: 0.3092  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0422475  Sterimol/B1: 2.46976  Sterimol/B2: 2.93211  Sterimol/B3: 3.30027
  Sterimol/B4: 6.24743  Sterimol/L: 15.7899 
 
 Surface and Volume Properties
  Accessible surface: 479.42  Positive charged surface: 354.946  Negative charged surface: 124.475  Volume: 223.375
  Hydrophobic surface: 285.492  Hydrophilic surface: 193.928
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.