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PUBCHEM-ZINC06634524

 MMsINC code: MMs03831198
Type: Neutral
Formula: C12H22N2O3
SMILES:   OC(=O)C(NC(=O)N1CCC(CC1)C)C(C)C
InChI:   InChI=1/C12H22N2O3/c1-8(2)10(11(15)16)13-12(17)14-6-4-9(3)5-7-14/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=22.8053 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.319 g/mol  logS: -1.4943  SlogP: 1.5371  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0790237  Sterimol/B1: 3.03533  Sterimol/B2: 3.15011  Sterimol/B3: 3.88628
  Sterimol/B4: 4.90899  Sterimol/L: 14.0888 
 
 Surface and Volume Properties
  Accessible surface: 475.2  Positive charged surface: 350.336  Negative charged surface: 124.864  Volume: 242.75
  Hydrophobic surface: 316.986  Hydrophilic surface: 158.214
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03831199
PUBCHEM-ZINC06634524