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CHEMBRIDGE-ZINC02839281

 MMsINC code: MMs00723923
Type: Neutral
Formula: C11H21NO3
SMILES:   OC(=O)CC(NC(=O)C)CCCCCC
InChI:   InChI=1/C11H21NO3/c1-3-4-5-6-7-10(8-11(14)15)12-9(2)13/h10H,3-8H2,1-2H3,(H,12,13)(H,14,15)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=4.22505 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.293 g/mol  logS: -2.23809  SlogP: 1.9362  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0676376  Sterimol/B1: 2.90645  Sterimol/B2: 3.68506  Sterimol/B3: 4.03878
  Sterimol/B4: 4.81654  Sterimol/L: 15.4921 
 
 Surface and Volume Properties
  Accessible surface: 474.38  Positive charged surface: 339.061  Negative charged surface: 135.318  Volume: 226.125
  Hydrophobic surface: 325.892  Hydrophilic surface: 148.488
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs00723924
CHEMBRIDGE-ZINC02839281