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PUBCHEM-ZINC06554877

 MMsINC code: MMs03793508
Type: Ionized
Formula: C15H27N2O3-
SMILES:   O=C([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)/p-1/t11-,13+/m1/s1

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Potential Energy
Epot(MMFF94)=15.6701 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.392 g/mol  logS: -3.60817  SlogP: 1.5631  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0846362  Sterimol/B1: 2.43388  Sterimol/B2: 3.32583  Sterimol/B3: 3.49505
  Sterimol/B4: 7.68804  Sterimol/L: 14.3133 
 
 Surface and Volume Properties
  Accessible surface: 538.691  Positive charged surface: 380.459  Negative charged surface: 158.232  Volume: 296.5
  Hydrophobic surface: 379.702  Hydrophilic surface: 158.989
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 2  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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Parent related molecule:


MMs03793507
PUBCHEM-ZINC06554877