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NANOSIN-ZINC01511446

 MMsINC code: MMs02196999
Type: Neutral
Formula: C11H16N2O2
SMILES:   O=C1N(CC(C)C)C(=O)NC2=C1CCC2
InChI:   InChI=1/C11H16N2O2/c1-7(2)6-13-10(14)8-4-3-5-9(8)12-11(13)15/h7H,3-6H2,1-2H3,(H,12,15)

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Potential Energy
Epot(MMFF94)=3.00699 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.261 g/mol  logS: -1.46065  SlogP: 1.6322  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0782484  Sterimol/B1: 2.40784  Sterimol/B2: 2.83514  Sterimol/B3: 4.02985
  Sterimol/B4: 4.93611  Sterimol/L: 12.6032 
 
 Surface and Volume Properties
  Accessible surface: 410.545  Positive charged surface: 287.999  Negative charged surface: 122.546  Volume: 204.875
  Hydrophobic surface: 286.98  Hydrophilic surface: 123.565
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.