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IBS-ZINC00542191

 MMsINC code: MMs01751233
Type: Neutral
Formula: C13H24N2O3
SMILES:   OC(=O)C(NC(=O)N1CCCCC1C)CC(C)C
InChI:   InChI=1/C13H24N2O3/c1-9(2)8-11(12(16)17)14-13(18)15-7-5-4-6-10(15)3/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)/t10-,11-/m0/s1

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Potential Energy
Epot(MMFF94)=38.2073 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.346 g/mol  logS: -2.13496  SlogP: 2.0697  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.163903  Sterimol/B1: 2.60964  Sterimol/B2: 3.21119  Sterimol/B3: 5.24941
  Sterimol/B4: 5.93648  Sterimol/L: 13.1253 
 
 Surface and Volume Properties
  Accessible surface: 497.712  Positive charged surface: 363.047  Negative charged surface: 134.665  Volume: 259.625
  Hydrophobic surface: 336.526  Hydrophilic surface: 161.186
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs01751234
IBS-ZINC00542191