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IBS-ZINC00540802

 MMsINC code: MMs01750830
Type: Ionized
Formula: C11H19N2O3-
SMILES:   O=C([O-])C(NC(=O)N1CCCCC1CC)C
InChI:   InChI=1/C11H20N2O3/c1-3-9-6-4-5-7-13(9)11(16)12-8(2)10(14)15/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)/p-1/t8-,9-/m0/s1

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Potential Energy
Epot(MMFF94)=13.0927 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.284 g/mol  logS: -1.36497  SlogP: 0.0989  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0966801  Sterimol/B1: 2.5656  Sterimol/B2: 3.20787  Sterimol/B3: 3.43974
  Sterimol/B4: 7.21372  Sterimol/L: 12.7612 
 
 Surface and Volume Properties
  Accessible surface: 449.278  Positive charged surface: 312.532  Negative charged surface: 136.746  Volume: 227.125
  Hydrophobic surface: 305.741  Hydrophilic surface: 143.537
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  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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Parent related molecule:


MMs01750829
IBS-ZINC00540802