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AURORAFEINCHEMIE-ZINC05272042

 MMsINC code: MMs00473420
Type: Neutral
Formula: C11H22N2O3
SMILES:   OC(=O)C(NC(=O)NC(CCCCC)C)C
InChI:   InChI=1/C11H22N2O3/c1-4-5-6-7-8(2)12-11(16)13-9(3)10(14)15/h8-9H,4-7H2,1-3H3,(H,14,15)(H2,12,13,16)/t8-,9+/m0/s1

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Potential Energy
Epot(MMFF94)=-11.1182 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.308 g/mol  logS: -2.32923  SlogP: 1.7275  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0445029  Sterimol/B1: 2.65777  Sterimol/B2: 3.09314  Sterimol/B3: 3.15794
  Sterimol/B4: 7.14111  Sterimol/L: 15.0289 
 
 Surface and Volume Properties
  Accessible surface: 503.984  Positive charged surface: 361.015  Negative charged surface: 142.968  Volume: 239.375
  Hydrophobic surface: 298.993  Hydrophilic surface: 204.991
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs00473421
AURORAFEINCHEMIE-ZINC05272042