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AURORAFEINCHEMIE-ZINC02393365

 MMsINC code: MMs00453027
Type: Neutral
Formula: C10H20N2O3
SMILES:   OC(=O)C(NC(=O)NC(CC)C)C(C)C
InChI:   InChI=1/C10H20N2O3/c1-5-7(4)11-10(15)12-8(6(2)3)9(13)14/h6-8H,5H2,1-4H3,(H,13,14)(H2,11,12,15)/t7-,8-/m0/s1

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Potential Energy
Epot(MMFF94)=5.59293 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.281 g/mol  logS: -1.18711  SlogP: 1.1933  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0575507  Sterimol/B1: 2.38023  Sterimol/B2: 2.76054  Sterimol/B3: 3.19302
  Sterimol/B4: 6.32503  Sterimol/L: 13.0686 
 
 Surface and Volume Properties
  Accessible surface: 456.896  Positive charged surface: 317.815  Negative charged surface: 139.081  Volume: 221.375
  Hydrophobic surface: 255.25  Hydrophilic surface: 201.646
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs00453028
AURORAFEINCHEMIE-ZINC02393365