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AURORAFEINCHEMIE-ZINC02436975

 MMsINC code: MMs00453517
Type: Neutral
Formula: C12H24N2O3
SMILES:   O(C(=O)C(NC(=O)NC(CCCCC)C)C)C
InChI:   InChI=1/C12H24N2O3/c1-5-6-7-8-9(2)13-12(16)14-10(3)11(15)17-4/h9-10H,5-8H2,1-4H3,(H2,13,14,16)/t9-,10-/m0/s1

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Potential Energy
Epot(MMFF94)=-2.30864 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.335 g/mol  logS: -2.74156  SlogP: 1.8159  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0652759  Sterimol/B1: 2.48843  Sterimol/B2: 2.96507  Sterimol/B3: 4.15798
  Sterimol/B4: 7.68482  Sterimol/L: 17.1987 
 
 Surface and Volume Properties
  Accessible surface: 543.686  Positive charged surface: 418.802  Negative charged surface: 124.884  Volume: 261.625
  Hydrophobic surface: 396.04  Hydrophilic surface: 147.646
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.