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PUBCHEM-ZINC00008108

 MMsINC code: MMs02626344
Type: Neutral
Formula: C19H22N2O3
SMILES:   OC1C(O)C(NC(=O)NC1Cc1ccccc1)Cc1ccccc1
InChI:   InChI=1/C19H22N2O3/c22-17-15(11-13-7-3-1-4-8-13)20-19(24)21-16(18(17)23)12-14-9-5-2-6-10-14/h1-10,15-18,22-23H,11-12H2,(H2,20,21,24)/t15-,16-,17+,18+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=238.213 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.396 g/mol  logS: -3.00683  SlogP: 1.24354  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.221532  Sterimol/B1: 3.24191  Sterimol/B2: 4.10823  Sterimol/B3: 4.53434
  Sterimol/B4: 7.94544  Sterimol/L: 12.8948 
 
 Surface and Volume Properties
  Accessible surface: 501.497  Positive charged surface: 316.084  Negative charged surface: 185.414  Volume: 310.25
  Hydrophobic surface: 359.939  Hydrophilic surface: 141.558
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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: no related molecules available.