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NCID-ZINC01614245

 MMsINC code: MMs02264158
Type: Neutral
Formula: C19H23NO2
SMILES:   O1CCN(CC1)C(C(OC)c1ccccc1)c1ccccc1
InChI:   InChI=1/C19H23NO2/c1-21-19(17-10-6-3-7-11-17)18(16-8-4-2-5-9-16)20-12-14-22-15-13-20/h2-11,18-19H,12-15H2,1H3/t18-,19+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=113.194 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.398 g/mol  logS: -3.45835  SlogP: 3.6386  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.254356  Sterimol/B1: 2.15587  Sterimol/B2: 2.5238  Sterimol/B3: 6.20865
  Sterimol/B4: 8.26763  Sterimol/L: 13.3517 
 
 Surface and Volume Properties
  Accessible surface: 532.186  Positive charged surface: 399.18  Negative charged surface: 133.007  Volume: 309.25
  Hydrophobic surface: 518.236  Hydrophilic surface: 13.95
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02264159
NCID-ZINC01614245