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NCID-ZINC01665780

 MMsINC code: MMs02301929
Type: Neutral
Formula: C19H23NO2
SMILES:   O1CCN(CC1)CC(O)C(c1ccccc1)c1ccccc1
InChI:   InChI=1/C19H23NO2/c21-18(15-20-11-13-22-14-12-20)19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18-19,21H,11-15H2/t18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=124.961 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.398 g/mol  logS: -3.0492  SlogP: 2.5116  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.156659  Sterimol/B1: 2.16769  Sterimol/B2: 3.59524  Sterimol/B3: 4.16806
  Sterimol/B4: 9.15363  Sterimol/L: 13.796 
 
 Surface and Volume Properties
  Accessible surface: 548.867  Positive charged surface: 382.17  Negative charged surface: 166.697  Volume: 306.375
  Hydrophobic surface: 514.472  Hydrophilic surface: 34.395
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02301930
NCID-ZINC01665780