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BACHEM-ZINC02579080

 MMsINC code: MMs00484550
Type: Neutral
Formula: C9H18N2O3
SMILES:   O(C(C)(C)C)C(=O)C(N)CCC(=O)N
InChI:   InChI=1/C9H18N2O3/c1-9(2,3)14-8(13)6(10)4-5-7(11)12/h6H,4-5,10H2,1-3H3,(H2,11,12)/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=41.4859 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.254 g/mol  logS: -1.03395  SlogP: -0.0791  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0917312  Sterimol/B1: 3.26415  Sterimol/B2: 3.42399  Sterimol/B3: 3.67167
  Sterimol/B4: 4.80542  Sterimol/L: 13.2856 
 
 Surface and Volume Properties
  Accessible surface: 439.487  Positive charged surface: 315.226  Negative charged surface: 124.261  Volume: 202.375
  Hydrophobic surface: 204.392  Hydrophilic surface: 235.095
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.