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CHEMBRIDGE-ZINC04981464

 MMsINC code: MMs00818670
Type: Neutral
Formula: C19H25NO3
SMILES:   O(C)c1c(OC)cc(NC(CCc2ccccc2)C)cc1OC
InChI:   InChI=1/C19H25NO3/c1-14(10-11-15-8-6-5-7-9-15)20-16-12-17(21-2)19(23-4)18(13-16)22-3/h5-9,12-14,20H,10-11H2,1-4H3/t14-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=100.953 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.413 g/mol  logS: -3.69083  SlogP: 4.14557  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107216  Sterimol/B1: 2.30369  Sterimol/B2: 3.99166  Sterimol/B3: 6.33569
  Sterimol/B4: 7.75332  Sterimol/L: 17.3401 
 
 Surface and Volume Properties
  Accessible surface: 614.238  Positive charged surface: 468.189  Negative charged surface: 146.049  Volume: 329.25
  Hydrophobic surface: 567.034  Hydrophilic surface: 47.204
 
 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: no related molecules available.