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NCID-ZINC01624569

 MMsINC code: MMs02271568
Type: Neutral
Formula: C23H23NO4
SMILES:   O(C(=O)C=1CCCC=1C(=O)C(NC(=O)c1ccccc1)Cc1ccccc1)C
InChI:   InChI=1/C23H23NO4/c1-28-23(27)19-14-8-13-18(19)21(25)20(15-16-9-4-2-5-10-16)24-22(26)17-11-6-3-7-12-17/h2-7,9-12,20H,8,13-15H2,1H3,(H,24,26)/t20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=101.527 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.44 g/mol  logS: -5.0528  SlogP: 3.25027  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0689222  Sterimol/B1: 2.20002  Sterimol/B2: 3.57147  Sterimol/B3: 3.66643
  Sterimol/B4: 10.2014  Sterimol/L: 14.9702 
 
 Surface and Volume Properties
  Accessible surface: 642.129  Positive charged surface: 404.898  Negative charged surface: 237.231  Volume: 368.125
  Hydrophobic surface: 567.694  Hydrophilic surface: 74.435
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.