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PUBCHEM-ZINC05674094

 MMsINC code: MMs03343277
Type: Neutral
Formula: C17H32N2O2
SMILES:   O=C(NC(CC)C)C1CC(CC(=O)NC(CC)C)C1(C)C
InChI:   InChI=1/C17H32N2O2/c1-7-11(3)18-15(20)10-13-9-14(17(13,5)6)16(21)19-12(4)8-2/h11-14H,7-10H2,1-6H3,(H,18,20)(H,19,21)/t11-,12-,13-,14+/m0/s1

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Potential Energy
Epot(MMFF94)=38.0465 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.455 g/mol  logS: -2.94561  SlogP: 2.8682  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0671267  Sterimol/B1: 3.40439  Sterimol/B2: 3.57571  Sterimol/B3: 4.48654
  Sterimol/B4: 5.29761  Sterimol/L: 17.8864 
 
 Surface and Volume Properties
  Accessible surface: 606.393  Positive charged surface: 402.698  Negative charged surface: 151.868  Volume: 329.25
  Hydrophobic surface: 438.592  Hydrophilic surface: 167.801
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.