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COMGENEX-ZINC06801888

 MMsINC code: MMs01211297
Type: Neutral
Formula: C15H24N2O
SMILES:   O=C(N1CCCC1)c1n(CC)c(C)c(CC)c1C
InChI:   InChI=1/C15H24N2O/c1-5-13-11(3)14(17(6-2)12(13)4)15(18)16-9-7-8-10-16/h5-10H2,1-4H3

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Potential Energy
Epot(MMFF94)=25.4942 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.37 g/mol  logS: -1.94431  SlogP: 3.18961  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.190542  Sterimol/B1: 2.18473  Sterimol/B2: 3.00655  Sterimol/B3: 5.14332
  Sterimol/B4: 8.21049  Sterimol/L: 12.5632 
 
 Surface and Volume Properties
  Accessible surface: 493.517  Positive charged surface: 362.738  Negative charged surface: 130.78  Volume: 274.125
  Hydrophobic surface: 424.682  Hydrophilic surface: 68.835
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.