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PUBCHEM-ZINC00397291

 MMsINC code: MMs02674021
Type: Neutral
Formula: C18H24N2O2
SMILES:   o1cccc1CNC(=O)Nc1c(cccc1C(C)C)C(C)C
InChI:   InChI=1/C18H24N2O2/c1-12(2)15-8-5-9-16(13(3)4)17(15)20-18(21)19-11-14-7-6-10-22-14/h5-10,12-13H,11H2,1-4H3,(H2,19,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.085 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.402 g/mol  logS: -5.32948  SlogP: 5.1145  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104576  Sterimol/B1: 2.39548  Sterimol/B2: 2.63417  Sterimol/B3: 4.77505
  Sterimol/B4: 9.15281  Sterimol/L: 15.3541 
 
 Surface and Volume Properties
  Accessible surface: 581.003  Positive charged surface: 359.487  Negative charged surface: 221.516  Volume: 314.75
  Hydrophobic surface: 443.482  Hydrophilic surface: 137.521
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.