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AURORAFEINCHEMIE-ZINC04090148

 MMsINC code: MMs00468503
Type: Neutral
Formula: C13H24N2O3
SMILES:   O(C(=O)C(NC(=O)NC1CCCCCCC1)C)C
InChI:   InChI=1/C13H24N2O3/c1-10(12(16)18-2)14-13(17)15-11-8-6-4-3-5-7-9-11/h10-11H,3-9H2,1-2H3,(H2,14,15,17)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=64.2987 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.346 g/mol  logS: -2.84129  SlogP: 1.96  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0858018  Sterimol/B1: 2.1318  Sterimol/B2: 2.61388  Sterimol/B3: 4.76006
  Sterimol/B4: 5.8646  Sterimol/L: 15.9128 
 
 Surface and Volume Properties
  Accessible surface: 509.79  Positive charged surface: 389.296  Negative charged surface: 120.494  Volume: 260.875
  Hydrophobic surface: 401.06  Hydrophilic surface: 108.73
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.