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CHEMDIV-ZINC06732365

 MMsINC code: MMs01003777
Type: Neutral
Formula: C26H25NO3
SMILES:   OC1(c2c(N(Cc3ccc(cc3)C)C1=O)cccc2)CC(=O)c1ccc(cc1)CC
InChI:   InChI=1/C26H25NO3/c1-3-19-12-14-21(15-13-19)24(28)16-26(30)22-6-4-5-7-23(22)27(25(26)29)17-20-10-8-18(2)9-11-20/h4-15,30H,3,16-17H2,1-2H3/t26-/m1/s1

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Potential Energy
Epot(MMFF94)=106.326 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 399.49 g/mol  logS: -6.61297  SlogP: 5.14269  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.143428  Sterimol/B1: 3.46758  Sterimol/B2: 5.15119  Sterimol/B3: 5.5426
  Sterimol/B4: 7.57584  Sterimol/L: 15.7152 
 
 Surface and Volume Properties
  Accessible surface: 692.323  Positive charged surface: 412.686  Negative charged surface: 279.637  Volume: 402.375
  Hydrophobic surface: 593.151  Hydrophilic surface: 99.172
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.