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PUBCHEM-ZINC00257514

 MMsINC code: MMs02646745
Type: Neutral
Formula: C20H26N2O2
SMILES:   o1cccc1CN(CCc1ccccc1)C(=O)NC1CCCCC1
InChI:   InChI=1/C20H26N2O2/c23-20(21-18-10-5-2-6-11-18)22(16-19-12-7-15-24-19)14-13-17-8-3-1-4-9-17/h1,3-4,7-9,12,15,18H,2,5-6,10-11,13-14,16H2,(H,21,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.6604 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.44 g/mol  logS: -4.31832  SlogP: 4.63297  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0572497  Sterimol/B1: 2.65566  Sterimol/B2: 3.3725  Sterimol/B3: 3.85257
  Sterimol/B4: 8.86525  Sterimol/L: 16.813 
 
 Surface and Volume Properties
  Accessible surface: 614.663  Positive charged surface: 387.427  Negative charged surface: 227.236  Volume: 338.5
  Hydrophobic surface: 577.001  Hydrophilic surface: 37.662
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.