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PUBCHEM-ZINC06934324

 MMsINC code: MMs03907422
Type: Neutral
Formula: C15H28N2O3
SMILES:   OC(=O)C(NC(=O)NC1CCCCCCC1)C(CC)C
InChI:   InChI=1/C15H28N2O3/c1-3-11(2)13(14(18)19)17-15(20)16-12-9-7-5-4-6-8-10-12/h11-13H,3-10H2,1-2H3,(H,18,19)(H2,16,17,20)/t11-,13+/m0/s1

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Potential Energy
Epot(MMFF94)=67.8064 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.4 g/mol  logS: -3.34772  SlogP: 2.8978  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0983984  Sterimol/B1: 2.5363  Sterimol/B2: 3.31113  Sterimol/B3: 4.43673
  Sterimol/B4: 7.4019  Sterimol/L: 14.505 
 
 Surface and Volume Properties
  Accessible surface: 538.877  Positive charged surface: 384.477  Negative charged surface: 154.4  Volume: 290.75
  Hydrophobic surface: 380.677  Hydrophilic surface: 158.2
 
 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


MMs03907423
PUBCHEM-ZINC06934324