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PUBCHEM-ZINC05907343

 MMsINC code: MMs03439200
Type: Neutral
Formula: C13H24N2O3
SMILES:   OC(=O)C(NC(=O)N1CCCCC1C)C(CC)C
InChI:   InChI=1/C13H24N2O3/c1-4-9(2)11(12(16)17)14-13(18)15-8-6-5-7-10(15)3/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)/t9-,10-,11+/m1/s1

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Potential Energy
Epot(MMFF94)=40.9684 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.346 g/mol  logS: -1.82151  SlogP: 2.0697  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.144713  Sterimol/B1: 2.34144  Sterimol/B2: 2.39252  Sterimol/B3: 4.85736
  Sterimol/B4: 7.03465  Sterimol/L: 12.6763 
 
 Surface and Volume Properties
  Accessible surface: 491.367  Positive charged surface: 355.734  Negative charged surface: 135.634  Volume: 258
  Hydrophobic surface: 340.915  Hydrophilic surface: 150.452
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs03439201
PUBCHEM-ZINC05907343