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ASINEX-ZINC04854458

 MMsINC code: MMs00383442
Type: Neutral
Formula: C10H18N2O4
SMILES:   O1CCCC1CNC(=O)C(=O)NCCCO
InChI:   InChI=1/C10H18N2O4/c13-5-2-4-11-9(14)10(15)12-7-8-3-1-6-16-8/h8,13H,1-7H2,(H,11,14)(H,12,15)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=39.3096 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.264 g/mol  logS: -0.62993  SlogP: -1.2198  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0226085  Sterimol/B1: 2.47658  Sterimol/B2: 3.25965  Sterimol/B3: 3.4001
  Sterimol/B4: 3.67642  Sterimol/L: 17.7374 
 
 Surface and Volume Properties
  Accessible surface: 488.926  Positive charged surface: 382.59  Negative charged surface: 106.337  Volume: 222.375
  Hydrophobic surface: 319.484  Hydrophilic surface: 169.442
 
 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.