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PUBCHEM-ZINC03122160

 MMsINC code: MMs02996750
Type: Neutral
Formula: C20H23NO3
SMILES:   OC(=O)c1ccccc1NC(=O)c1ccc(cc1)CCCCCC
InChI:   InChI=1/C20H23NO3/c1-2-3-4-5-8-15-11-13-16(14-12-15)19(22)21-18-10-7-6-9-17(18)20(23)24/h6-7,9-14H,2-5,8H2,1H3,(H,21,22)(H,23,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=70.8258 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.408 g/mol  logS: -6.37429  SlogP: 4.75987  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0314926  Sterimol/B1: 2.48824  Sterimol/B2: 4.31047  Sterimol/B3: 4.81541
  Sterimol/B4: 5.70826  Sterimol/L: 20.7605 
 
 Surface and Volume Properties
  Accessible surface: 624.112  Positive charged surface: 403.895  Negative charged surface: 220.217  Volume: 331.25
  Hydrophobic surface: 485.048  Hydrophilic surface: 139.064
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs02996751
PUBCHEM-ZINC03122160