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PUBCHEM-ZINC05768706

 MMsINC code: MMs03380956
Type: Neutral
Formula: C20H19NO
SMILES:   Oc1ccc(cc1)CNC(c1ccccc1)c1ccccc1
InChI:   InChI=1/C20H19NO/c22-19-13-11-16(12-14-19)15-21-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,20-22H,15H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.1188 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.378 g/mol  logS: -4.29923  SlogP: 4.6333  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.149082  Sterimol/B1: 2.24679  Sterimol/B2: 3.30833  Sterimol/B3: 4.54058
  Sterimol/B4: 9.32015  Sterimol/L: 14.5109 
 
 Surface and Volume Properties
  Accessible surface: 567.358  Positive charged surface: 324.723  Negative charged surface: 242.635  Volume: 303.5
  Hydrophobic surface: 503.652  Hydrophilic surface: 63.706
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs03380957
PUBCHEM-ZINC05768706