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PUBCHEM-ZINC04715560

 MMsINC code: MMs03162441
Type: Neutral
Formula: C19H23NO
SMILES:   O(Cc1ccccc1)c1ccc(cc1)CNC1CCCC1
InChI:   InChI=1/C19H23NO/c1-2-6-17(7-3-1)15-21-19-12-10-16(11-13-19)14-20-18-8-4-5-9-18/h1-3,6-7,10-13,18,20H,4-5,8-9,14-15H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.4543 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.399 g/mol  logS: -3.89958  SlogP: 4.8306  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0415806  Sterimol/B1: 2.95574  Sterimol/B2: 3.41652  Sterimol/B3: 3.8535
  Sterimol/B4: 4.33327  Sterimol/L: 19.3473 
 
 Surface and Volume Properties
  Accessible surface: 588.093  Positive charged surface: 387.972  Negative charged surface: 200.121  Volume: 305.875
  Hydrophobic surface: 562.009  Hydrophilic surface: 26.084
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs03162442
PUBCHEM-ZINC04715560