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PUBCHEM-ZINC03620409

 MMsINC code: MMs03024065
Type: Neutral
Formula: C12H18N2O4
SMILES:   OC1CCC(N2C(=O)C(CC)C(=O)NC2=O)CC1
InChI:   InChI=1/C12H18N2O4/c1-2-9-10(16)13-12(18)14(11(9)17)7-3-5-8(15)6-4-7/h7-9,15H,2-6H2,1H3,(H,13,16,18)/t7-,8-,9-/m1/s1

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Potential Energy
Epot(MMFF94)=4.62596 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.286 g/mol  logS: -1.77409  SlogP: 0.3945  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100084  Sterimol/B1: 2.8451  Sterimol/B2: 3.26506  Sterimol/B3: 3.65891
  Sterimol/B4: 4.66637  Sterimol/L: 14.165 
 
 Surface and Volume Properties
  Accessible surface: 449.12  Positive charged surface: 311.909  Negative charged surface: 137.211  Volume: 231.125
  Hydrophobic surface: 260.828  Hydrophilic surface: 188.292
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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: no related molecules available.