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IFLAB-ZINC02457182

 MMsINC code: MMs01990292
Type: Neutral
Formula: C10H18N2O4
SMILES:   OC(=O)CCC(=O)N1CCN(CC1)CCO
InChI:   InChI=1/C10H18N2O4/c13-8-7-11-3-5-12(6-4-11)9(14)1-2-10(15)16/h13H,1-8H2,(H,15,16)

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Potential Energy
Epot(MMFF94)=41.8051 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.264 g/mol  logS: 0.73901  SlogP: -1.0123  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0606176  Sterimol/B1: 2.67397  Sterimol/B2: 2.95354  Sterimol/B3: 3.54368
  Sterimol/B4: 5.38333  Sterimol/L: 14.7913 
 
 Surface and Volume Properties
  Accessible surface: 457.094  Positive charged surface: 360.8  Negative charged surface: 96.2939  Volume: 216.375
  Hydrophobic surface: 272.652  Hydrophilic surface: 184.442
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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.