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CHEMBRIDGE-ZINC04894209

 MMsINC code: MMs00809360
Type: Neutral
Formula: C15H25NO
SMILES:   O=C(NC(C)C12CC3CC(C1)CC(C2)C3)CC
InChI:   InChI=1/C15H25NO/c1-3-14(17)16-10(2)15-7-11-4-12(8-15)6-13(5-11)9-15/h10-13H,3-9H2,1-2H3,(H,16,17)/t10-,11-,12+,13-,15-/m1/s1

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Potential Energy
Epot(MMFF94)=43.0313 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 235.371 g/mol  logS: -4.01717  SlogP: 3.1175  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.154062  Sterimol/B1: 3.48312  Sterimol/B2: 3.64286  Sterimol/B3: 4.25849
  Sterimol/B4: 5.06675  Sterimol/L: 13.4902 
 
 Surface and Volume Properties
  Accessible surface: 452.498  Positive charged surface: 349.47  Negative charged surface: 103.029  Volume: 249.875
  Hydrophobic surface: 382.69  Hydrophilic surface: 69.808
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.