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NCID-ZINC05662849

 MMsINC code: MMs02483828
Type: Neutral
Formula: C11H22N2O3
SMILES:   OC(=O)C(NC(=O)C(N)C(CC)C)C(C)C
InChI:   InChI=1/C11H22N2O3/c1-5-7(4)8(12)10(14)13-9(6(2)3)11(15)16/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)/t7-,8-,9+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.0506 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.308 g/mol  logS: -1.42703  SlogP: 0.5852  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0654895  Sterimol/B1: 2.871  Sterimol/B2: 3.13715  Sterimol/B3: 3.30304
  Sterimol/B4: 5.61217  Sterimol/L: 13.3368 
 
 Surface and Volume Properties
  Accessible surface: 450.666  Positive charged surface: 306.901  Negative charged surface: 143.764  Volume: 235.25
  Hydrophobic surface: 224.615  Hydrophilic surface: 226.051
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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: no related molecules available.