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PUBCHEM-ZINC06706877

 MMsINC code: MMs03843731
Type: Neutral
Formula: C14H26N2O3
SMILES:   OC(=O)C(NC(=O)N1CCCCC1CC)CC(C)C
InChI:   InChI=1/C14H26N2O3/c1-4-11-7-5-6-8-16(11)14(19)15-12(13(17)18)9-10(2)3/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)/t11-,12-/m1/s1

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Potential Energy
Epot(MMFF94)=42.6514 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.373 g/mol  logS: -2.33673  SlogP: 2.4598  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.183651  Sterimol/B1: 2.56062  Sterimol/B2: 3.20637  Sterimol/B3: 6.043
  Sterimol/B4: 7.27156  Sterimol/L: 13.1997 
 
 Surface and Volume Properties
  Accessible surface: 526.222  Positive charged surface: 386.327  Negative charged surface: 139.896  Volume: 277.5
  Hydrophobic surface: 363.686  Hydrophilic surface: 162.536
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs03843732
PUBCHEM-ZINC06706877