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OAKWOOD-ZINC02556933

 MMsINC code: MMs02546033
Type: Neutral
Formula: C10H20N2O2
SMILES:   O(C(C)(C)C)C(=O)N(C)C1CCNC1
InChI:   InChI=1/C10H20N2O2/c1-10(2,3)14-9(13)12(4)8-5-6-11-7-8/h8,11H,5-7H2,1-4H3/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=35.5225 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.282 g/mol  logS: -0.83312  SlogP: 1.2152  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133624  Sterimol/B1: 2.28824  Sterimol/B2: 2.50643  Sterimol/B3: 4.56274
  Sterimol/B4: 4.88083  Sterimol/L: 12.6578 
 
 Surface and Volume Properties
  Accessible surface: 427.183  Positive charged surface: 344.952  Negative charged surface: 82.2313  Volume: 209.625
  Hydrophobic surface: 336.867  Hydrophilic surface: 90.316
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs02546034
OAKWOOD-ZINC02556933