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ENAMINE-ZINC04308120

 MMsINC code: MMs01538223
Type: Neutral
Formula: C17H28N2O2
SMILES:   O=C1N(CC2CCCCC2)C(=O)NC12CCC(CC2)CC
InChI:   InChI=1/C17H28N2O2/c1-2-13-8-10-17(11-9-13)15(20)19(16(21)18-17)12-14-6-4-3-5-7-14/h13-14H,2-12H2,1H3,(H,18,21)/t13-,17+

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Potential Energy
Epot(MMFF94)=15.7543 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.423 g/mol  logS: -4.71044  SlogP: 3.4575  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0661605  Sterimol/B1: 2.59718  Sterimol/B2: 3.55376  Sterimol/B3: 4.07163
  Sterimol/B4: 5.69727  Sterimol/L: 16.4133 
 
 Surface and Volume Properties
  Accessible surface: 534.847  Positive charged surface: 401.406  Negative charged surface: 133.44  Volume: 301.375
  Hydrophobic surface: 435.06  Hydrophilic surface: 99.787
 
 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.