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CHEMDIV-ZINC04004433

 MMsINC code: MMs00922398
Type: Neutral
Formula: C23H25N3O6
SMILES:   O1CCCC1CNC(=O)c1ccc(cc1)CN1C(=O)c2cc(OC)c(OC)cc2NC1=O
InChI:   InChI=1/C23H25N3O6/c1-30-19-10-17-18(11-20(19)31-2)25-23(29)26(22(17)28)13-14-5-7-15(8-6-14)21(27)24-12-16-4-3-9-32-16/h5-8,10-11,16H,3-4,9,12-13H2,1-2H3,(H,24,27)(H,25,29)/t16-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=80.5305 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 439.468 g/mol  logS: -4.54172  SlogP: 3.0669  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0797909  Sterimol/B1: 2.19867  Sterimol/B2: 2.47735  Sterimol/B3: 7.27461
  Sterimol/B4: 7.45496  Sterimol/L: 20.6363 
 
 Surface and Volume Properties
  Accessible surface: 734.753  Positive charged surface: 539.304  Negative charged surface: 195.449  Volume: 404.875
  Hydrophobic surface: 573.9  Hydrophilic surface: 160.853
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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.