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AURORAFEINCHEMIE-ZINC00539070

 MMsINC code: MMs00447449
Type: Neutral
Formula: C13H24N2O3
SMILES:   OC(=O)C(NC(=O)NC1CCCCC1C)C(C)C
InChI:   InChI=1/C13H24N2O3/c1-8(2)11(12(16)17)15-13(18)14-10-7-5-4-6-9(10)3/h8-11H,4-7H2,1-3H3,(H,16,17)(H2,14,15,18)/t9-,10+,11-/m0/s1

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Potential Energy
Epot(MMFF94)=15.1901 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.346 g/mol  logS: -2.00383  SlogP: 1.9735  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0952729  Sterimol/B1: 2.24615  Sterimol/B2: 2.47177  Sterimol/B3: 4.38071
  Sterimol/B4: 6.5731  Sterimol/L: 13.5953 
 
 Surface and Volume Properties
  Accessible surface: 493.513  Positive charged surface: 352.086  Negative charged surface: 141.427  Volume: 260
  Hydrophobic surface: 327.538  Hydrophilic surface: 165.975
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs00447450
AURORAFEINCHEMIE-ZINC00539070