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CHEMDIV-ZINC00218803

 MMsINC code: MMs00842695
Type: Neutral
Formula: C17H28N2O2
SMILES:   O=C1N(C(CC1)(C(=O)NC1CCCCCCC1)C)C1CC1
InChI:   InChI=1/C17H28N2O2/c1-17(12-11-15(20)19(17)14-9-10-14)16(21)18-13-7-5-3-2-4-6-8-13/h13-14H,2-12H2,1H3,(H,18,21)/t17-/m1/s1

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Potential Energy
Epot(MMFF94)=120.059 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.423 g/mol  logS: -3.44339  SlogP: 2.759  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.184783  Sterimol/B1: 2.0394  Sterimol/B2: 3.7812  Sterimol/B3: 5.63411
  Sterimol/B4: 6.41616  Sterimol/L: 12.6364 
 
 Surface and Volume Properties
  Accessible surface: 514.821  Positive charged surface: 359.432  Negative charged surface: 155.389  Volume: 300.875
  Hydrophobic surface: 421.978  Hydrophilic surface: 92.843
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.