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CHEMBRIDGE-ZINC02826351

 MMsINC code: MMs00721205
Type: Neutral
Formula: C9H18N2O3
SMILES:   OC(=O)CCCNC(=O)NC(C)(C)C
InChI:   InChI=1/C9H18N2O3/c1-9(2,3)11-8(14)10-6-4-5-7(12)13/h4-6H2,1-3H3,(H,12,13)(H2,10,11,14)

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Potential Energy
Epot(MMFF94)=-11.0448 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.254 g/mol  logS: -0.66549  SlogP: 0.9489  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0573031  Sterimol/B1: 2.31064  Sterimol/B2: 2.37489  Sterimol/B3: 4.08635
  Sterimol/B4: 4.87434  Sterimol/L: 15.4002 
 
 Surface and Volume Properties
  Accessible surface: 447.803  Positive charged surface: 316.735  Negative charged surface: 131.068  Volume: 202.375
  Hydrophobic surface: 240.368  Hydrophilic surface: 207.435
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs00721206
CHEMBRIDGE-ZINC02826351