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PUBCHEM-ZINC02019291

 MMsINC code: MMs02854952
Type: Neutral
Formula: C20H25NO2
SMILES:   O(C(=O)c1ccccc1CCc1ccccc1)CCCN(C)C
InChI:   InChI=1/C20H25NO2/c1-21(2)15-8-16-23-20(22)19-12-7-6-11-18(19)14-13-17-9-4-3-5-10-17/h3-7,9-12H,8,13-16H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.6027 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.425 g/mol  logS: -4.35757  SlogP: 3.58024  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0258488  Sterimol/B1: 2.37824  Sterimol/B2: 3.73615  Sterimol/B3: 4.56259
  Sterimol/B4: 8.81469  Sterimol/L: 17.3373 
 
 Surface and Volume Properties
  Accessible surface: 617.804  Positive charged surface: 442.806  Negative charged surface: 174.998  Volume: 331.5
  Hydrophobic surface: 601.113  Hydrophilic surface: 16.691
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs02854953
PUBCHEM-ZINC02019291