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ASINEX-ZINC04476493

 MMsINC code: MMs00340056
Type: Neutral
Formula: C11H20N2O4
SMILES:   O1CCCC1CNC(=O)C(=O)NC(CC)CO
InChI:   InChI=1/C11H20N2O4/c1-2-8(7-14)13-11(16)10(15)12-6-9-4-3-5-17-9/h8-9,14H,2-7H2,1H3,(H,12,15)(H,13,16)/t8-,9+/m0/s1

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Potential Energy
Epot(MMFF94)=55.2072 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.291 g/mol  logS: -0.95714  SlogP: -0.8313  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0414737  Sterimol/B1: 2.34125  Sterimol/B2: 2.92746  Sterimol/B3: 3.37624
  Sterimol/B4: 5.77504  Sterimol/L: 15.4846 
 
 Surface and Volume Properties
  Accessible surface: 494.983  Positive charged surface: 387.503  Negative charged surface: 107.48  Volume: 238.75
  Hydrophobic surface: 335.759  Hydrophilic surface: 159.224
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.