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ASINEX-ZINC02511862

 MMsINC code: MMs00274216
Type: Neutral
Formula: C7H13NO3
SMILES:   O1CCN(CC1)C(C(O)=O)C
InChI:   InChI=1/C7H13NO3/c1-6(7(9)10)8-2-4-11-5-3-8/h6H,2-5H2,1H3,(H,9,10)/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=57.2337 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 159.185 g/mol  logS: -0.10296  SlogP: -0.2083  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.238705  Sterimol/B1: 2.07749  Sterimol/B2: 2.57581  Sterimol/B3: 4.28287
  Sterimol/B4: 4.5129  Sterimol/L: 10.0621 
 
 Surface and Volume Properties
  Accessible surface: 332.145  Positive charged surface: 256.592  Negative charged surface: 75.5532  Volume: 153.125
  Hydrophobic surface: 209.396  Hydrophilic surface: 122.749
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.