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PUBCHEM-ZINC04180301

 MMsINC code: MMs03096661
Type: Neutral
Formula: C15H25NO2
SMILES:   O(C(=O)NC(CC)C12CC3CC(C1)CC(C2)C3)C
InChI:   InChI=1/C15H25NO2/c1-3-13(16-14(17)18-2)15-7-10-4-11(8-15)6-12(5-10)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)=39.3418 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.37 g/mol  logS: -4.08663  SlogP: 3.3374  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.155579  Sterimol/B1: 2.46447  Sterimol/B2: 3.89723  Sterimol/B3: 4.0062
  Sterimol/B4: 6.44943  Sterimol/L: 12.9765 
 
 Surface and Volume Properties
  Accessible surface: 462.432  Positive charged surface: 379.928  Negative charged surface: 82.5038  Volume: 258.125
  Hydrophobic surface: 403.76  Hydrophilic surface: 58.672
 
 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.