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MAYBRIDGE-ZINC04343328

 MMsINC code: MMs02169390
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)=84.9846 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: 0.23507  Sterimol/B1: 2.09895  Sterimol/B2: 2.62912  Sterimol/B3: 5.68645
  Sterimol/B4: 6.69662  Sterimol/L: 12.9774 
 
 Surface and Volume Properties
  Accessible surface: 470.86  Positive charged surface: 291.845  Negative charged surface: 179.016  Volume: 254.75
  Hydrophobic surface: 390.676  Hydrophilic surface: 80.184
 
 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.