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IBS-ZINC02414856

 MMsINC code: MMs01856455
Type: Neutral
Formula: C10H20N2O3
SMILES:   OC(=O)C(NC(=O)NCCCC)C(C)C
InChI:   InChI=1/C10H20N2O3/c1-4-5-6-11-10(15)12-8(7(2)3)9(13)14/h7-8H,4-6H2,1-3H3,(H,13,14)(H2,11,12,15)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=1.33449 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.281 g/mol  logS: -1.37512  SlogP: 1.1949  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0540465  Sterimol/B1: 3.30694  Sterimol/B2: 3.35302  Sterimol/B3: 3.57812
  Sterimol/B4: 4.22061  Sterimol/L: 15.5766 
 
 Surface and Volume Properties
  Accessible surface: 466.716  Positive charged surface: 335.926  Negative charged surface: 130.79  Volume: 218.875
  Hydrophobic surface: 274.349  Hydrophilic surface: 192.367
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs01856456
IBS-ZINC02414856