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MAYBRIDGE-ZINC04343327

 MMsINC code: MMs02169389
Type: Neutral
Formula: C15H21NO2
SMILES:   o1cccc1C(=O)NC1C(C2CC1(CC2)C)(C)C
InChI:   InChI=1/C15H21NO2/c1-14(2)10-6-7-15(3,9-10)13(14)16-12(17)11-5-4-8-18-11/h4-5,8,10,13H,6-7,9H2,1-3H3,(H,16,17)/t10-,13+,15+/m0/s1

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Potential Energy
Epot(MMFF94)=77.8984 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 247.338 g/mol  logS: -3.45876  SlogP: 3.2242  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.150699  Sterimol/B1: 2.20212  Sterimol/B2: 2.7638  Sterimol/B3: 4.07161
  Sterimol/B4: 7.13377  Sterimol/L: 13.8221 
 
 Surface and Volume Properties
  Accessible surface: 467.576  Positive charged surface: 290.757  Negative charged surface: 176.819  Volume: 254.5
  Hydrophobic surface: 387.115  Hydrophilic surface: 80.461
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.