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PUBCHEM-ZINC05907353

 MMsINC code: MMs03439214
Type: Ionized
Formula: C13H23N2O3-
SMILES:   O=C([O-])C(NC(=O)NC1CCCCC1)C(CC)C
InChI:   InChI=1/C13H24N2O3/c1-3-9(2)11(12(16)17)15-13(18)14-10-7-5-4-6-8-10/h9-11H,3-8H2,1-2H3,(H,16,17)(H2,14,15,18)/p-1/t9-,11+/m1/s1

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Potential Energy
Epot(MMFF94)=-0.963216 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.338 g/mol  logS: -2.57773  SlogP: 0.7829  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0795962  Sterimol/B1: 2.39376  Sterimol/B2: 3.17368  Sterimol/B3: 3.73979
  Sterimol/B4: 7.58507  Sterimol/L: 13.7546 
 
 Surface and Volume Properties
  Accessible surface: 506.389  Positive charged surface: 353.093  Negative charged surface: 153.295  Volume: 261.875
  Hydrophobic surface: 343.119  Hydrophilic surface: 163.27
 
 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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MMs03439213
PUBCHEM-ZINC05907353