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AURORAFEINCHEMIE-ZINC05277608

 MMsINC code: MMs00473456
Type: Neutral
Formula: C14H24N2O3
SMILES:   OC(=O)C(NC(=O)NCCC=1CCCCC=1)C(C)C
InChI:   InChI=1/C14H24N2O3/c1-10(2)12(13(17)18)16-14(19)15-9-8-11-6-4-3-5-7-11/h6,10,12H,3-5,7-9H2,1-2H3,(H,17,18)(H2,15,16,19)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=13.886 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.357 g/mol  logS: -2.29827  SlogP: 2.2853  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0454479  Sterimol/B1: 2.95761  Sterimol/B2: 3.88058  Sterimol/B3: 3.9916
  Sterimol/B4: 4.72278  Sterimol/L: 17.1112 
 
 Surface and Volume Properties
  Accessible surface: 541.978  Positive charged surface: 395.89  Negative charged surface: 146.088  Volume: 273.75
  Hydrophobic surface: 357.511  Hydrophilic surface: 184.467
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs00473457
AURORAFEINCHEMIE-ZINC05277608