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CHEMDIV-ZINC06942203

 MMsINC code: MMs01066523
Type: Neutral
Formula: C13H22N2O3
SMILES:   O=C1N(C(CC1)C(=O)NCCOC)C1CCCC1
InChI:   InChI=1/C13H22N2O3/c1-18-9-8-14-13(17)11-6-7-12(16)15(11)10-4-2-3-5-10/h10-11H,2-9H2,1H3,(H,14,17)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=57.0753 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.33 g/mol  logS: -1.16078  SlogP: 0.6826  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0686  Sterimol/B1: 2.99684  Sterimol/B2: 3.90508  Sterimol/B3: 4.15098
  Sterimol/B4: 4.69208  Sterimol/L: 15.3259 
 
 Surface and Volume Properties
  Accessible surface: 505.333  Positive charged surface: 417.393  Negative charged surface: 87.9398  Volume: 256
  Hydrophobic surface: 453.092  Hydrophilic surface: 52.241
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.