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PUBCHEM-ZINC05817328

 MMsINC code: MMs03396538
Type: Neutral
Formula: C11H20N2O3
SMILES:   OC(=O)C(NC(=O)N1CCCC1)CC(C)C
InChI:   InChI=1/C11H20N2O3/c1-8(2)7-9(10(14)15)12-11(16)13-5-3-4-6-13/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=10.0365 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.292 g/mol  logS: -1.60598  SlogP: 1.2911  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133258  Sterimol/B1: 2.47535  Sterimol/B2: 2.71163  Sterimol/B3: 4.1727
  Sterimol/B4: 7.47846  Sterimol/L: 12.6412 
 
 Surface and Volume Properties
  Accessible surface: 467.841  Positive charged surface: 337.64  Negative charged surface: 130.2  Volume: 228.125
  Hydrophobic surface: 308.406  Hydrophilic surface: 159.435
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs03396539
PUBCHEM-ZINC05817328