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NCID-ZINC01636572

 MMsINC code: MMs02279887
Type: Neutral
Formula: C19H25NO2
SMILES:   O(C)c1cc(cc(OC)c1)CC(NC(C)c1ccccc1)C
InChI:   InChI=1/C19H25NO2/c1-14(20-15(2)17-8-6-5-7-9-17)10-16-11-18(21-3)13-19(12-16)22-4/h5-9,11-15,20H,10H2,1-4H3/t14-,15+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.8057 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.414 g/mol  logS: -3.70993  SlogP: 4.08107  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.216503  Sterimol/B1: 2.53523  Sterimol/B2: 3.43001  Sterimol/B3: 4.38512
  Sterimol/B4: 9.40861  Sterimol/L: 12.6799 
 
 Surface and Volume Properties
  Accessible surface: 556.431  Positive charged surface: 412.774  Negative charged surface: 143.657  Volume: 321
  Hydrophobic surface: 494.35  Hydrophilic surface: 62.081
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02279888
NCID-ZINC01636572