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ASINEX-ZINC04535524

 MMsINC code: MMs00349191
Type: Neutral
Formula: C11H20N2O3
SMILES:   O1CCCC1CNC(=O)C(=O)NC(CC)C
InChI:   InChI=1/C11H20N2O3/c1-3-8(2)13-11(15)10(14)12-7-9-5-4-6-16-9/h8-9H,3-7H2,1-2H3,(H,12,14)(H,13,15)/t8-,9-/m0/s1

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Potential Energy
Epot(MMFF94)=39.4992 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.292 g/mol  logS: -1.48689  SlogP: 0.1963  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0608971  Sterimol/B1: 2.12613  Sterimol/B2: 3.30204  Sterimol/B3: 3.75272
  Sterimol/B4: 5.94869  Sterimol/L: 15.5093 
 
 Surface and Volume Properties
  Accessible surface: 488.416  Positive charged surface: 363.844  Negative charged surface: 124.572  Volume: 230.75
  Hydrophobic surface: 347.35  Hydrophilic surface: 141.066
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.