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CHEMDIV-ZINC04592959

 MMsINC code: MMs00938656
Type: Neutral
Formula: C23H23NO4
SMILES:   O(C(=O)c1ccc(cc1)C)c1cc(N2C(=O)C3C(CCC(C3)C)C2=O)ccc1
InChI:   InChI=1/C23H23NO4/c1-14-6-9-16(10-7-14)23(27)28-18-5-3-4-17(13-18)24-21(25)19-11-8-15(2)12-20(19)22(24)26/h3-7,9-10,13,15,19-20H,8,11-12H2,1-2H3/t15-,19-,20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=102.789 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.44 g/mol  logS: -6.21611  SlogP: 4.13982  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0300892  Sterimol/B1: 2.53018  Sterimol/B2: 3.40919  Sterimol/B3: 3.86508
  Sterimol/B4: 8.3437  Sterimol/L: 20.3811 
 
 Surface and Volume Properties
  Accessible surface: 650.653  Positive charged surface: 400.174  Negative charged surface: 250.48  Volume: 363.125
  Hydrophobic surface: 540.018  Hydrophilic surface: 110.635
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.