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NCID-ZINC05368567

 MMsINC code: MMs02454908
Type: Neutral
Formula: C14H20N2O3
SMILES:   O=C1N(C(C(C)C)C(=O)N)C(=O)C2C1C1CC2CC1
InChI:   InChI=1/C14H20N2O3/c1-6(2)11(12(15)17)16-13(18)9-7-3-4-8(5-7)10(9)14(16)19/h6-11H,3-5H2,1-2H3,(H2,15,17)/t7-,8+,9-,10-,11+/m0/s1

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Potential Energy
Epot(MMFF94)=120.763 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.325 g/mol  logS: -2.71154  SlogP: 0.5274  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124457  Sterimol/B1: 2.16015  Sterimol/B2: 3.7743  Sterimol/B3: 4.17466
  Sterimol/B4: 6.69354  Sterimol/L: 12.5589 
 
 Surface and Volume Properties
  Accessible surface: 452.722  Positive charged surface: 303.405  Negative charged surface: 149.317  Volume: 251.5
  Hydrophobic surface: 284.016  Hydrophilic surface: 168.706
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.