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NCID-ZINC01654244

 MMsINC code: MMs02293058
Type: Ionized
Formula: C11H19N2O3-
SMILES:   O=C(NC(C(C)C)C(=O)[O-])C1(N)CCCC1
InChI:   InChI=1/C11H20N2O3/c1-7(2)8(9(14)15)13-10(16)11(12)5-3-4-6-11/h7-8H,3-6,12H2,1-2H3,(H,13,16)(H,14,15)/p-1/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=47.6094 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.284 g/mol  logS: -1.39743  SlogP: -0.8514  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.19199  Sterimol/B1: 2.37457  Sterimol/B2: 2.84143  Sterimol/B3: 4.19071
  Sterimol/B4: 6.35841  Sterimol/L: 11.8021 
 
 Surface and Volume Properties
  Accessible surface: 424.114  Positive charged surface: 276.471  Negative charged surface: 147.643  Volume: 226
  Hydrophobic surface: 246.703  Hydrophilic surface: 177.411
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs02293057
NCID-ZINC01654244